1-cyclobutylsulfonyl-3,3-dimethylpiperidin-4-amine

C11H22N2O2S — CID 115276642

IUPAC1-cyclobutylsulfonyl-3,3-dimethylpiperidin-4-amine
SMILESCC1(C)CN(S(=O)(=O)C2CCC2)CCC1N
InChIInChI=1S/C11H22N2O2S/c1-11(2)8-13(7-6-10(11)12)16(14,15)9-4-3-5-9/h9-10H,3-8,12H2,1-2H3
InChIKeyFJXJVPZSEBRTIQ-UHFFFAOYSA-N
MW246.38 g/mol
LogP0.93
Rot. Bonds2

About 1-cyclobutylsulfonyl-3,3-dimethylpiperidin-4-amine

1-cyclobutylsulfonyl-3,3-dimethylpiperidin-4-amine (PubChem CID 115276642) has the molecular formula C11H22N2O2S and a molecular weight of 246.38 g/mol. Its IUPAC name is 1-cyclobutylsulfonyl-3,3-dimethylpiperidin-4-amine.

Molecular Properties

Compound Name1-cyclobutylsulfonyl-3,3-dimethylpiperidin-4-amine
PubChem CID115276642
Molecular FormulaC11H22N2O2S
Molecular Weight246.38 g/mol
Exact Mass246.14
IUPAC Name1-cyclobutylsulfonyl-3,3-dimethylpiperidin-4-amine
SMILESCC1(C)CN(S(=O)(=O)C2CCC2)CCC1N
InChIInChI=1S/C11H22N2O2S/c1-11(2)8-13(7-6-10(11)12)16(14,15)9-4-3-5-9/h9-10H,3-8,12H2,1-2H3
InChIKeyFJXJVPZSEBRTIQ-UHFFFAOYSA-N
XLogP0.93
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.38
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,3-dimethyl-1-(oxan-3-ylsulfonyl)piperidin-4-amine;hydrochloride
CID 120877009
1-cyclopentylsulfonyl-4,4-dimethylpyrrolidin-3-amine
CID 165448574
3,3-dimethyl-1-methylsulfonylpiperidin-4-amine
CID 115269791
1-(azepan-1-ylsulfonyl)-3,3-dimethylpiperidin-4-amine
CID 120779565
3,3-dimethyl-1-propylsulfonylpiperidin-4-amine;hydrochloride
CID 120779816
methyl 2-(4-amino-3,3-dimethylpiperidin-1-yl)sulfonylcyclohexane-1-carboxylate;hydrochloride
CID 120876999
4-amino-N,3,3-trimethyl-N-propylpiperidine-1-sulfonamide;hydrochloride
CID 120779800
3,3-dimethyl-1-(1H-pyrrol-3-ylsulfonyl)piperidin-4-amine
CID 114267693
1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-3,3-dimethylpiperidin-4-amine;hydrochloride
CID 120779558
3,3-dimethyl-1-(oxolan-3-ylmethylsulfonyl)piperidin-4-amine
CID 120779200
1-(5-chlorothiophen-2-yl)sulfonyl-3,3-dimethylpiperidin-4-amine;hydrochloride
CID 120779861
3,3-dimethyl-1-(2,3,4-trifluorophenyl)sulfonylpiperidin-4-amine
CID 120779666

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutylsulfonyl-3,3-dimethylpiperidin-4-amine?
The IUPAC name of 1-cyclobutylsulfonyl-3,3-dimethylpiperidin-4-amine (CID 115276642) is 1-cyclobutylsulfonyl-3,3-dimethylpiperidin-4-amine.
What is the SMILES notation for 1-cyclobutylsulfonyl-3,3-dimethylpiperidin-4-amine?
The canonical SMILES for 1-cyclobutylsulfonyl-3,3-dimethylpiperidin-4-amine is CC1(C)CN(S(=O)(=O)C2CCC2)CCC1N.
What is the InChIKey of 1-cyclobutylsulfonyl-3,3-dimethylpiperidin-4-amine?
The InChIKey is FJXJVPZSEBRTIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2S/c1-11(2)8-13(7-6-10(11)12)16(14,15)9-4-3-5-9/h9-10H,3-8,12H2,1-2H3.
What are the key properties of 1-cyclobutylsulfonyl-3,3-dimethylpiperidin-4-amine?
1-cyclobutylsulfonyl-3,3-dimethylpiperidin-4-amine has a molecular weight of 246.38 g/mol, XLogP of 0.93, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutylsulfonyl-3,3-dimethylpiperidin-4-amine is sourced from PubChem (CID 115276642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).