(2S)-1-(benzenesulfonyl)-2-[2-[(1S,2R)-2-methylcyclohexyl]ethyl]piperazine

C19H30N2O2S — CID 154927789

IUPAC(2S)-1-(benzenesulfonyl)-2-[2-[(1S,2R)-2-methylcyclohexyl]ethyl]piperazine
SMILESC[C@@H]1CCCC[C@H]1CC[C@H]1CNCCN1S(=O)(=O)c1ccccc1
InChIInChI=1S/C19H30N2O2S/c1-16-7-5-6-8-17(16)11-12-18-15-20-13-14-21(18)24(22,23)19-9-3-2-4-10-19/h2-4,9-10,16-18,20H,5-8,11-15H2,1H3/t16-,17+,18+/m1/s1
InChIKeyPZCYBOYWDWEPDV-SQNIBIBYSA-N
MW350.53 g/mol
LogP3.26
Rot. Bonds5

About (2S)-1-(benzenesulfonyl)-2-[2-[(1S,2R)-2-methylcyclohexyl]ethyl]piperazine

(2S)-1-(benzenesulfonyl)-2-[2-[(1S,2R)-2-methylcyclohexyl]ethyl]piperazine (PubChem CID 154927789) has the molecular formula C19H30N2O2S and a molecular weight of 350.53 g/mol. Its IUPAC name is (2S)-1-(benzenesulfonyl)-2-[2-[(1S,2R)-2-methylcyclohexyl]ethyl]piperazine.

Molecular Properties

Compound Name(2S)-1-(benzenesulfonyl)-2-[2-[(1S,2R)-2-methylcyclohexyl]ethyl]piperazine
PubChem CID154927789
Molecular FormulaC19H30N2O2S
Molecular Weight350.53 g/mol
Exact Mass350.20
IUPAC Name(2S)-1-(benzenesulfonyl)-2-[2-[(1S,2R)-2-methylcyclohexyl]ethyl]piperazine
SMILESC[C@@H]1CCCC[C@H]1CC[C@H]1CNCCN1S(=O)(=O)c1ccccc1
InChIInChI=1S/C19H30N2O2S/c1-16-7-5-6-8-17(16)11-12-18-15-20-13-14-21(18)24(22,23)19-9-3-2-4-10-19/h2-4,9-10,16-18,20H,5-8,11-15H2,1H3/t16-,17+,18+/m1/s1
InChIKeyPZCYBOYWDWEPDV-SQNIBIBYSA-N
XLogP3.26
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.53
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(benzenesulfonyl)-2-(2-methylpropyl)piperazine
CID 82249423
1-(4-bromophenyl)sulfonyl-2-propylpiperazine
CID 164863546
methyl N-[(2S)-4-[(1R,2R)-2-[2-[(2S)-1-(benzenesulfonyl)piperazin-2-yl]ethyl]cyclohexyl]-1-(4-chlorophenyl)-1-(oxan-4-yl)-3-oxobutan-2-yl]carbamate
CID 149371156
[(2S,3R)-1-[[2-[2-[(2S)-1-(benzenesulfonyl)piperazin-2-yl]ethyl]cyclopentyl]amino]-3-(4-chlorophenyl)-3-(oxan-4-yl)-1-oxopropan-2-yl]-methylcarbamic acid
CID 146619746
(2S,3S)-2-amino-N-[2-[2-[(2S)-1-(benzenesulfonyl)piperazin-2-yl]ethyl]-4,4-difluorocyclopentyl]-3-(4-chlorophenyl)-3-cyclohexylpropanamide
CID 144781654
2-benzyl-1-(4-nitrophenyl)sulfonylpiperazine
CID 74955238
(2S,3S)-2-[[2-[2-[(2S)-1-(benzenesulfonyl)piperazin-2-yl]ethyl]-4,4-difluorocyclopentyl]amino]-3-(4-chlorophenyl)-3-(oxan-4-yl)propanamide
CID 121378016
1-(benzenesulfonyl)-2-(iodomethyl)piperidine
CID 71381040
3-[1-(benzenesulfonyl)pyrrolidin-2-yl]propan-1-ol
CID 62469186
1-(benzenesulfonyl)-N-(2-pyrrolidin-3-ylethyl)piperidine-2-carboxamide;hydrochloride
CID 119533650
(2S)-1-(benzenesulfonyl)-2-methylazetidine
CID 174287686
(2R)-1-(benzenesulfonyl)-2-ethylaziridine
CID 22957230

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(benzenesulfonyl)-2-[2-[(1S,2R)-2-methylcyclohexyl]ethyl]piperazine?
The IUPAC name of (2S)-1-(benzenesulfonyl)-2-[2-[(1S,2R)-2-methylcyclohexyl]ethyl]piperazine (CID 154927789) is (2S)-1-(benzenesulfonyl)-2-[2-[(1S,2R)-2-methylcyclohexyl]ethyl]piperazine.
What is the SMILES notation for (2S)-1-(benzenesulfonyl)-2-[2-[(1S,2R)-2-methylcyclohexyl]ethyl]piperazine?
The canonical SMILES for (2S)-1-(benzenesulfonyl)-2-[2-[(1S,2R)-2-methylcyclohexyl]ethyl]piperazine is C[C@@H]1CCCC[C@H]1CC[C@H]1CNCCN1S(=O)(=O)c1ccccc1.
What is the InChIKey of (2S)-1-(benzenesulfonyl)-2-[2-[(1S,2R)-2-methylcyclohexyl]ethyl]piperazine?
The InChIKey is PZCYBOYWDWEPDV-SQNIBIBYSA-N. The full InChI is InChI=1S/C19H30N2O2S/c1-16-7-5-6-8-17(16)11-12-18-15-20-13-14-21(18)24(22,23)19-9-3-2-4-10-19/h2-4,9-10,16-18,20H,5-8,11-15H2,1H3/t16-,17+,18+/m1/s1.
What are the key properties of (2S)-1-(benzenesulfonyl)-2-[2-[(1S,2R)-2-methylcyclohexyl]ethyl]piperazine?
(2S)-1-(benzenesulfonyl)-2-[2-[(1S,2R)-2-methylcyclohexyl]ethyl]piperazine has a molecular weight of 350.53 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(benzenesulfonyl)-2-[2-[(1S,2R)-2-methylcyclohexyl]ethyl]piperazine is sourced from PubChem (CID 154927789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).