4-(2-methylbutan-2-yl)-1-methylsulfonylpiperidine;4-(2-methylbutan-2-yl)oxane;4-(2-methylbutan-2-yl)piperidine;tris(1-[4-(2-methylbutan-2-yl)piperidin-1-yl]ethanone);4-(2-methylbutan-2-yl)thiane;4-(2-methylbutan-2-yl)thiane 1,1-dioxide

C87H173N5O8S3 — CID 165000180

IUPAC4-(2-methylbutan-2-yl)-1-methylsulfonylpiperidine;4-(2-methylbutan-2-yl)oxane;4-(2-methylbutan-2-yl)piperidine;tris(1-[4-(2-methylbutan-2-yl)piperidin-1-yl]ethanone);4-(2-methylbutan-2-yl)thiane;4-(2-methylbutan-2-yl)thiane 1,1-dioxide
SMILESCCC(C)(C)C1CCN(C(C)=O)CC1.CCC(C)(C)C1CCN(C(C)=O)CC1.CCC(C)(C)C1CCN(C(C)=O)CC1.CCC(C)(C)C1CCN(S(C)(=O)=O)CC1.CCC(C)(C)C1CCNCC1.CCC(C)(C)C1CCOCC1.CCC(C)(C)C1CCS(=O)(=O)CC1.CCC(C)(C)C1CCSCC1
InChIInChI=1S/3C12H23NO.C11H23NO2S.C10H21N.C10H20O2S.C10H20O.C10H20S/c3*1-5-12(3,4)11-6-8-13(9-7-11)10(2)14;1-5-11(2,3)10-6-8-12(9-7-10)15(4,13)14;1-4-10(2,3)9-5-7-11-8-6-9;1-4-10(2,3)9-5-7-13(11,12)8-6-9;2*1-4-10(2,3)9-5-7-11-8-6-9/h3*11H,5-9H2,1-4H3;10H,5-9H2,1-4H3;9,11H,4-8H2,1-3H3;9H,4-8H2,1-3H3;2*9H,4-8H2,1-3H3
InChIKeyIDHSTYPQRUFVNT-UHFFFAOYSA-N
MW1513.57 g/mol
LogP21.22
Rot. Bonds17

About 4-(2-methylbutan-2-yl)-1-methylsulfonylpiperidine;4-(2-methylbutan-2-yl)oxane;4-(2-methylbutan-2-yl)piperidine;tris(1-[4-(2-methylbutan-2-yl)piperidin-1-yl]ethanone);4-(2-methylbutan-2-yl)thiane;4-(2-methylbutan-2-yl)thiane 1,1-dioxide

4-(2-methylbutan-2-yl)-1-methylsulfonylpiperidine;4-(2-methylbutan-2-yl)oxane;4-(2-methylbutan-2-yl)piperidine;tris(1-[4-(2-methylbutan-2-yl)piperidin-1-yl]ethanone);4-(2-methylbutan-2-yl)thiane;4-(2-methylbutan-2-yl)thiane 1,1-dioxide (PubChem CID 165000180) has the molecular formula C87H173N5O8S3 and a molecular weight of 1513.57 g/mol. Its IUPAC name is 4-(2-methylbutan-2-yl)-1-methylsulfonylpiperidine;4-(2-methylbutan-2-yl)oxane;4-(2-methylbutan-2-yl)piperidine;tris(1-[4-(2-methylbutan-2-yl)piperidin-1-yl]ethanone);4-(2-methylbutan-2-yl)thiane;4-(2-methylbutan-2-yl)thiane 1,1-dioxide.

Molecular Properties

Compound Name4-(2-methylbutan-2-yl)-1-methylsulfonylpiperidine;4-(2-methylbutan-2-yl)oxane;4-(2-methylbutan-2-yl)piperidine;tris(1-[4-(2-methylbutan-2-yl)piperidin-1-yl]ethanone);4-(2-methylbutan-2-yl)thiane;4-(2-methylbutan-2-yl)thiane 1,1-dioxide
PubChem CID165000180
Molecular FormulaC87H173N5O8S3
Molecular Weight1513.57 g/mol
Exact Mass1512.24
IUPAC Name4-(2-methylbutan-2-yl)-1-methylsulfonylpiperidine;4-(2-methylbutan-2-yl)oxane;4-(2-methylbutan-2-yl)piperidine;tris(1-[4-(2-methylbutan-2-yl)piperidin-1-yl]ethanone);4-(2-methylbutan-2-yl)thiane;4-(2-methylbutan-2-yl)thiane 1,1-dioxide
SMILESCCC(C)(C)C1CCN(C(C)=O)CC1.CCC(C)(C)C1CCN(C(C)=O)CC1.CCC(C)(C)C1CCN(C(C)=O)CC1.CCC(C)(C)C1CCN(S(C)(=O)=O)CC1.CCC(C)(C)C1CCNCC1.CCC(C)(C)C1CCOCC1.CCC(C)(C)C1CCS(=O)(=O)CC1.CCC(C)(C)C1CCSCC1
InChIInChI=1S/3C12H23NO.C11H23NO2S.C10H21N.C10H20O2S.C10H20O.C10H20S/c3*1-5-12(3,4)11-6-8-13(9-7-11)10(2)14;1-5-11(2,3)10-6-8-12(9-7-10)15(4,13)14;1-4-10(2,3)9-5-7-11-8-6-9;1-4-10(2,3)9-5-7-13(11,12)8-6-9;2*1-4-10(2,3)9-5-7-11-8-6-9/h3*11H,5-9H2,1-4H3;10H,5-9H2,1-4H3;9,11H,4-8H2,1-3H3;9H,4-8H2,1-3H3;2*9H,4-8H2,1-3H3
InChIKeyIDHSTYPQRUFVNT-UHFFFAOYSA-N
XLogP21.22
TPSA153.71 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds17
Heavy Atoms103
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001513.57
LogP ≤ 521.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 4-(2-methylbutan-2-yl)-1-methylsulfonylpiperidine;4-(2-methylbutan-2-yl)oxane;4-(2-methylbutan-2-yl)piperidine;tris(1-[4-(2-methylbutan-2-yl)piperidin-1-yl]ethanone);4-(2-methylbutan-2-yl)thiane;4-(2-methylbutan-2-yl)thiane 1,1-dioxide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-tert-butyloxane;3-tert-butyloxolane;4-tert-butylpiperidine;1-(4-tert-butylpiperidin-1-yl)ethanone
CID 161225048
4-(2-methylbutan-2-yl)oxane
CID 91527752
3-(2-methylbutan-2-yl)-1-methylsulfonylpiperidine
CID 146550207
4-(3,3-dimethylbutyl)piperidine;1-[4-(3,3-dimethylbutyl)piperidin-1-yl]ethanone;1-(2,2-dimethylpropyl)-4-methylsulfonylpiperazine;3-(2,2-dimethylpropyl)-1-methylsulfonylpiperidine;4-(2,2-dimethylpropyl)-1-methylsulfonylpiperidine;3-(2,2-dimethylpropyl)-1-methylsulfonylpyrrolidine;4-(2,2-dimethylpropyl)morpholine;1-(2,2-dimethylpropyl)piperazine;1-[4-(2,2-dimethylpropyl)piperazin-1-yl]ethanone;3-(2,2-dimethylpropyl)piperidine;4-(2,2-dimethylpropyl)piperidine;1-[3-(2,2-dimethylpropyl)piperidin-1-yl]ethanone;1-[4-(2,2-dimethylpropyl)piperidin-1-yl]ethanone;3-(2,2-dimethylpropyl)pyrrolidine;1-[3-(2,2-dimethylpropyl)pyrrolidin-1-yl]ethanone
CID 161083144
1-[2,3-dimethyl-3-(oxan-4-yl)butan-2-yl]-4-methylsulfonylpiperazine
CID 155036372
4-tert-butyl-1-methylpiperidine;4-tert-butyloxane;3-tert-butyloxetane;1-(4-tert-butylpiperidin-1-yl)ethanone;2,2-dimethylpropane;2,2-dimethylpropanenitrile;1-methoxy-3,3-dimethylbutane;2-methyl-2-methylsulfonylpropane;3,3,4,4-tetramethylpentan-2-one
CID 160913129
4-methylsulfonyl-N-[[(3S)-oxolan-3-yl]methyl]piperazine-1-carboxamide
CID 94124307
9-(2-methylbutan-2-yl)-1-oxa-4-azaspiro[5.5]undecane
CID 65122193
1-(2-methyl-2-morpholin-4-ylpropyl)-3-(1-methylsulfonylpiperidin-4-yl)urea
CID 55597433
8-(2-methylbutan-2-yl)-3-methylsulfonyl-3-azabicyclo[3.2.1]octane
CID 167170552
4-tert-butyl-1-piperidin-4-ylsulfonylpiperidine
CID 62085790
4-(2-methylpentan-2-yl)oxane
CID 129015452

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylbutan-2-yl)-1-methylsulfonylpiperidine;4-(2-methylbutan-2-yl)oxane;4-(2-methylbutan-2-yl)piperidine;tris(1-[4-(2-methylbutan-2-yl)piperidin-1-yl]ethanone);4-(2-methylbutan-2-yl)thiane;4-(2-methylbutan-2-yl)thiane 1,1-dioxide?
The IUPAC name of 4-(2-methylbutan-2-yl)-1-methylsulfonylpiperidine;4-(2-methylbutan-2-yl)oxane;4-(2-methylbutan-2-yl)piperidine;tris(1-[4-(2-methylbutan-2-yl)piperidin-1-yl]ethanone);4-(2-methylbutan-2-yl)thiane;4-(2-methylbutan-2-yl)thiane 1,1-dioxide (CID 165000180) is 4-(2-methylbutan-2-yl)-1-methylsulfonylpiperidine;4-(2-methylbutan-2-yl)oxane;4-(2-methylbutan-2-yl)piperidine;tris(1-[4-(2-methylbutan-2-yl)piperidin-1-yl]ethanone);4-(2-methylbutan-2-yl)thiane;4-(2-methylbutan-2-yl)thiane 1,1-dioxide.
What is the SMILES notation for 4-(2-methylbutan-2-yl)-1-methylsulfonylpiperidine;4-(2-methylbutan-2-yl)oxane;4-(2-methylbutan-2-yl)piperidine;tris(1-[4-(2-methylbutan-2-yl)piperidin-1-yl]ethanone);4-(2-methylbutan-2-yl)thiane;4-(2-methylbutan-2-yl)thiane 1,1-dioxide?
The canonical SMILES for 4-(2-methylbutan-2-yl)-1-methylsulfonylpiperidine;4-(2-methylbutan-2-yl)oxane;4-(2-methylbutan-2-yl)piperidine;tris(1-[4-(2-methylbutan-2-yl)piperidin-1-yl]ethanone);4-(2-methylbutan-2-yl)thiane;4-(2-methylbutan-2-yl)thiane 1,1-dioxide is CCC(C)(C)C1CCN(C(C)=O)CC1.CCC(C)(C)C1CCN(C(C)=O)CC1.CCC(C)(C)C1CCN(C(C)=O)CC1.CCC(C)(C)C1CCN(S(C)(=O)=O)CC1.CCC(C)(C)C1CCNCC1.CCC(C)(C)C1CCOCC1.CCC(C)(C)C1CCS(=O)(=O)CC1.CCC(C)(C)C1CCSCC1.
What is the InChIKey of 4-(2-methylbutan-2-yl)-1-methylsulfonylpiperidine;4-(2-methylbutan-2-yl)oxane;4-(2-methylbutan-2-yl)piperidine;tris(1-[4-(2-methylbutan-2-yl)piperidin-1-yl]ethanone);4-(2-methylbutan-2-yl)thiane;4-(2-methylbutan-2-yl)thiane 1,1-dioxide?
The InChIKey is IDHSTYPQRUFVNT-UHFFFAOYSA-N. The full InChI is InChI=1S/3C12H23NO.C11H23NO2S.C10H21N.C10H20O2S.C10H20O.C10H20S/c3*1-5-12(3,4)11-6-8-13(9-7-11)10(2)14;1-5-11(2,3)10-6-8-12(9-7-10)15(4,13)14;1-4-10(2,3)9-5-7-11-8-6-9;1-4-10(2,3)9-5-7-13(11,12)8-6-9;2*1-4-10(2,3)9-5-7-11-8-6-9/h3*11H,5-9H2,1-4H3;10H,5-9H2,1-4H3;9,11H,4-8H2,1-3H3;9H,4-8H2,1-3H3;2*9H,4-8H2,1-3H3.
What are the key properties of 4-(2-methylbutan-2-yl)-1-methylsulfonylpiperidine;4-(2-methylbutan-2-yl)oxane;4-(2-methylbutan-2-yl)piperidine;tris(1-[4-(2-methylbutan-2-yl)piperidin-1-yl]ethanone);4-(2-methylbutan-2-yl)thiane;4-(2-methylbutan-2-yl)thiane 1,1-dioxide?
4-(2-methylbutan-2-yl)-1-methylsulfonylpiperidine;4-(2-methylbutan-2-yl)oxane;4-(2-methylbutan-2-yl)piperidine;tris(1-[4-(2-methylbutan-2-yl)piperidin-1-yl]ethanone);4-(2-methylbutan-2-yl)thiane;4-(2-methylbutan-2-yl)thiane 1,1-dioxide has a molecular weight of 1513.57 g/mol, XLogP of 21.22, 17 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylbutan-2-yl)-1-methylsulfonylpiperidine;4-(2-methylbutan-2-yl)oxane;4-(2-methylbutan-2-yl)piperidine;tris(1-[4-(2-methylbutan-2-yl)piperidin-1-yl]ethanone);4-(2-methylbutan-2-yl)thiane;4-(2-methylbutan-2-yl)thiane 1,1-dioxide is sourced from PubChem (CID 165000180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).