2-methylpropane;1-methyl-4-(4-propan-2-ylphenyl)sulfonylpiperazine

C18H32N2O2S — CID 156878015

IUPAC2-methylpropane;1-methyl-4-(4-propan-2-ylphenyl)sulfonylpiperazine
SMILESCC(C)C.CC(C)c1ccc(S(=O)(=O)N2CCN(C)CC2)cc1
InChIInChI=1S/C14H22N2O2S.C4H10/c1-12(2)13-4-6-14(7-5-13)19(17,18)16-10-8-15(3)9-11-16;1-4(2)3/h4-7,12H,8-11H2,1-3H3;4H,1-3H3
InChIKeySOTHMHWKJOXOQT-UHFFFAOYSA-N
MW340.53 g/mol
LogP3.41
Rot. Bonds3

About 2-methylpropane;1-methyl-4-(4-propan-2-ylphenyl)sulfonylpiperazine

2-methylpropane;1-methyl-4-(4-propan-2-ylphenyl)sulfonylpiperazine (PubChem CID 156878015) has the molecular formula C18H32N2O2S and a molecular weight of 340.53 g/mol. Its IUPAC name is 2-methylpropane;1-methyl-4-(4-propan-2-ylphenyl)sulfonylpiperazine.

Molecular Properties

Compound Name2-methylpropane;1-methyl-4-(4-propan-2-ylphenyl)sulfonylpiperazine
PubChem CID156878015
Molecular FormulaC18H32N2O2S
Molecular Weight340.53 g/mol
Exact Mass340.22
IUPAC Name2-methylpropane;1-methyl-4-(4-propan-2-ylphenyl)sulfonylpiperazine
SMILESCC(C)C.CC(C)c1ccc(S(=O)(=O)N2CCN(C)CC2)cc1
InChIInChI=1S/C14H22N2O2S.C4H10/c1-12(2)13-4-6-14(7-5-13)19(17,18)16-10-8-15(3)9-11-16;1-4(2)3/h4-7,12H,8-11H2,1-3H3;4H,1-3H3
InChIKeySOTHMHWKJOXOQT-UHFFFAOYSA-N
XLogP3.41
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.53
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-propan-2-yl-4-(4-propan-2-ylphenyl)sulfonylpiperazine
CID 113072676
N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-4-propan-2-ylbenzamide
CID 17177406
1-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]ethanone
CID 3872906
ethane;1-(4-propan-2-ylphenyl)sulfonylpiperidin-4-one
CID 143985261
1-(1-cyclopropylethyl)-4-(4-propan-2-ylphenyl)sulfonylpiperazine
CID 110708840
1-methyl-4,7,10-tris-(4-methylphenyl)sulfonyl-1,4,7,10-tetrazacyclododecane
CID 12035988
4,4-difluoro-1-(4-propan-2-ylphenyl)sulfonylpiperidine
CID 178050421
2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]propanoic acid
CID 119134269
2-chloro-5-(4-methylpiperazin-1-yl)sulfonyl-N-(4-propan-2-ylphenyl)benzamide
CID 99969341
1-(3,4-dimethoxyphenyl)sulfonyl-4-(4-propan-2-ylphenyl)sulfonylpiperazine
CID 19684649
1-cyclohexyl-4-(4-propan-2-ylphenyl)sulfonylpiperazine
CID 3540501
1-methyl-4-[4-(4-methylphenyl)phenyl]sulfonylpiperazine
CID 889439

Frequently Asked Questions

What is the IUPAC name of 2-methylpropane;1-methyl-4-(4-propan-2-ylphenyl)sulfonylpiperazine?
The IUPAC name of 2-methylpropane;1-methyl-4-(4-propan-2-ylphenyl)sulfonylpiperazine (CID 156878015) is 2-methylpropane;1-methyl-4-(4-propan-2-ylphenyl)sulfonylpiperazine.
What is the SMILES notation for 2-methylpropane;1-methyl-4-(4-propan-2-ylphenyl)sulfonylpiperazine?
The canonical SMILES for 2-methylpropane;1-methyl-4-(4-propan-2-ylphenyl)sulfonylpiperazine is CC(C)C.CC(C)c1ccc(S(=O)(=O)N2CCN(C)CC2)cc1.
What is the InChIKey of 2-methylpropane;1-methyl-4-(4-propan-2-ylphenyl)sulfonylpiperazine?
The InChIKey is SOTHMHWKJOXOQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S.C4H10/c1-12(2)13-4-6-14(7-5-13)19(17,18)16-10-8-15(3)9-11-16;1-4(2)3/h4-7,12H,8-11H2,1-3H3;4H,1-3H3.
What are the key properties of 2-methylpropane;1-methyl-4-(4-propan-2-ylphenyl)sulfonylpiperazine?
2-methylpropane;1-methyl-4-(4-propan-2-ylphenyl)sulfonylpiperazine has a molecular weight of 340.53 g/mol, XLogP of 3.41, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropane;1-methyl-4-(4-propan-2-ylphenyl)sulfonylpiperazine is sourced from PubChem (CID 156878015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).