N-cyclohexyl-4-(2-phenylethenylsulfonyl)piperazine-1-carboxamide

C19H27N3O3S — CID 75194953

IUPACN-cyclohexyl-4-(2-phenylethenylsulfonyl)piperazine-1-carboxamide
SMILESO=C(NC1CCCCC1)N1CCN(S(=O)(=O)C=Cc2ccccc2)CC1
InChIInChI=1S/C19H27N3O3S/c23-19(20-18-9-5-2-6-10-18)21-12-14-22(15-13-21)26(24,25)16-11-17-7-3-1-4-8-17/h1,3-4,7-8,11,16,18H,2,5-6,9-10,12-15H2,(H,20,23)
InChIKeyMMCBZSYGCGGESH-UHFFFAOYSA-N
MW377.51 g/mol
LogP2.65
Rot. Bonds4

About N-cyclohexyl-4-(2-phenylethenylsulfonyl)piperazine-1-carboxamide

N-cyclohexyl-4-(2-phenylethenylsulfonyl)piperazine-1-carboxamide (PubChem CID 75194953) has the molecular formula C19H27N3O3S and a molecular weight of 377.51 g/mol. Its IUPAC name is N-cyclohexyl-4-(2-phenylethenylsulfonyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-4-(2-phenylethenylsulfonyl)piperazine-1-carboxamide
PubChem CID75194953
Molecular FormulaC19H27N3O3S
Molecular Weight377.51 g/mol
Exact Mass377.18
IUPAC NameN-cyclohexyl-4-(2-phenylethenylsulfonyl)piperazine-1-carboxamide
SMILESO=C(NC1CCCCC1)N1CCN(S(=O)(=O)C=Cc2ccccc2)CC1
InChIInChI=1S/C19H27N3O3S/c23-19(20-18-9-5-2-6-10-18)21-12-14-22(15-13-21)26(24,25)16-11-17-7-3-1-4-8-17/h1,3-4,7-8,11,16,18H,2,5-6,9-10,12-15H2,(H,20,23)
InChIKeyMMCBZSYGCGGESH-UHFFFAOYSA-N
XLogP2.65
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.51
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-methylcyclopropyl)-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]methanone
CID 51154227
N-cyclohexyl-4-(3-phenylprop-2-enyl)piperazin-4-ium-1-carboxamide
CID 3564830
1-[(E)-2-phenylethenyl]sulfonylpyrrolidine
CID 18624669
N-cyclohexyl-4-phenylpiperazine-1-carboxamide
CID 858165
2-[(4aR,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-1-ium-1-yl]-1-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]ethanone
CID 11931519
(4-cyclopentyloxyphenyl)-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]methanone
CID 55605217
N-[3-[4-(2-phenylethenylsulfonyl)piperazine-1-carbonyl]phenyl]cyclohexanecarboxamide
CID 55648219
2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]-1-piperidin-1-ylethanone
CID 8748884
2-bicyclo[2.2.1]heptanyl-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]methanone
CID 51261956
(E)-N-cycloheptyl-3-phenylprop-2-enamide
CID 6027758
N-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-4-[(E)-2-phenylethenyl]sulfonylpiperazine-1-carbothioamide
CID 7041871
(2R)-N-[(1R,2S)-2-methylcyclohexyl]-2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]propanamide
CID 8748651

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-(2-phenylethenylsulfonyl)piperazine-1-carboxamide?
The IUPAC name of N-cyclohexyl-4-(2-phenylethenylsulfonyl)piperazine-1-carboxamide (CID 75194953) is N-cyclohexyl-4-(2-phenylethenylsulfonyl)piperazine-1-carboxamide.
What is the SMILES notation for N-cyclohexyl-4-(2-phenylethenylsulfonyl)piperazine-1-carboxamide?
The canonical SMILES for N-cyclohexyl-4-(2-phenylethenylsulfonyl)piperazine-1-carboxamide is O=C(NC1CCCCC1)N1CCN(S(=O)(=O)C=Cc2ccccc2)CC1.
What is the InChIKey of N-cyclohexyl-4-(2-phenylethenylsulfonyl)piperazine-1-carboxamide?
The InChIKey is MMCBZSYGCGGESH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O3S/c23-19(20-18-9-5-2-6-10-18)21-12-14-22(15-13-21)26(24,25)16-11-17-7-3-1-4-8-17/h1,3-4,7-8,11,16,18H,2,5-6,9-10,12-15H2,(H,20,23).
What are the key properties of N-cyclohexyl-4-(2-phenylethenylsulfonyl)piperazine-1-carboxamide?
N-cyclohexyl-4-(2-phenylethenylsulfonyl)piperazine-1-carboxamide has a molecular weight of 377.51 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-(2-phenylethenylsulfonyl)piperazine-1-carboxamide is sourced from PubChem (CID 75194953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).