N-[(4S)-2-oxoazepan-4-yl]-4-pentylcyclohexane-1-sulfonamide

C17H32N2O3S — CID 140556941

IUPACN-[(4S)-2-oxoazepan-4-yl]-4-pentylcyclohexane-1-sulfonamide
SMILESCCCCCC1CCC(S(=O)(=O)N[C@H]2CCCNC(=O)C2)CC1
InChIInChI=1S/C17H32N2O3S/c1-2-3-4-6-14-8-10-16(11-9-14)23(21,22)19-15-7-5-12-18-17(20)13-15/h14-16,19H,2-13H2,1H3,(H,18,20)/t14?,15-,16?/m0/s1
InChIKeyYJDRDYCZXHKPPA-PCKAHOCUSA-N
MW344.52 g/mol
LogP2.71
Rot. Bonds7

About N-[(4S)-2-oxoazepan-4-yl]-4-pentylcyclohexane-1-sulfonamide

N-[(4S)-2-oxoazepan-4-yl]-4-pentylcyclohexane-1-sulfonamide (PubChem CID 140556941) has the molecular formula C17H32N2O3S and a molecular weight of 344.52 g/mol. Its IUPAC name is N-[(4S)-2-oxoazepan-4-yl]-4-pentylcyclohexane-1-sulfonamide.

Molecular Properties

Compound NameN-[(4S)-2-oxoazepan-4-yl]-4-pentylcyclohexane-1-sulfonamide
PubChem CID140556941
Molecular FormulaC17H32N2O3S
Molecular Weight344.52 g/mol
Exact Mass344.21
IUPAC NameN-[(4S)-2-oxoazepan-4-yl]-4-pentylcyclohexane-1-sulfonamide
SMILESCCCCCC1CCC(S(=O)(=O)N[C@H]2CCCNC(=O)C2)CC1
InChIInChI=1S/C17H32N2O3S/c1-2-3-4-6-14-8-10-16(11-9-14)23(21,22)19-15-7-5-12-18-17(20)13-15/h14-16,19H,2-13H2,1H3,(H,18,20)/t14?,15-,16?/m0/s1
InChIKeyYJDRDYCZXHKPPA-PCKAHOCUSA-N
XLogP2.71
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.52
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(3S)-3-hydroxy-2,2-dimethyl-N-[(4S)-2-oxoazepan-4-yl]decanamide
CID 66909938
4-[(4-propylcycloheptyl)amino]pyrrolidin-2-one
CID 114155313
4-nonylpyrrolidin-2-one
CID 143116205
4-hexylpyrrolidin-2-one
CID 18921442
(Z)-N-[(4S)-2-oxoazepan-4-yl]octadec-9-enamide
CID 66909977
N-ethyl-2-[(2-oxoazepan-4-yl)amino]ethanesulfonamide
CID 106336200
4-heptyl-1,5-diazonan-2-one
CID 10988412
2-methyl-N-(2-oxopiperidin-4-yl)propane-2-sulfonamide
CID 167069682
4-(cyclopentylmethylamino)azepan-2-one
CID 63905028
N-ethyl-N-[3-[(2-oxoazepan-4-yl)amino]propyl]methanesulfonamide
CID 63905047
hexane;pentylcyclopropane
CID 159592467
4-(2-methylpentan-3-ylamino)azepan-2-one
CID 63902955

Frequently Asked Questions

What is the IUPAC name of N-[(4S)-2-oxoazepan-4-yl]-4-pentylcyclohexane-1-sulfonamide?
The IUPAC name of N-[(4S)-2-oxoazepan-4-yl]-4-pentylcyclohexane-1-sulfonamide (CID 140556941) is N-[(4S)-2-oxoazepan-4-yl]-4-pentylcyclohexane-1-sulfonamide.
What is the SMILES notation for N-[(4S)-2-oxoazepan-4-yl]-4-pentylcyclohexane-1-sulfonamide?
The canonical SMILES for N-[(4S)-2-oxoazepan-4-yl]-4-pentylcyclohexane-1-sulfonamide is CCCCCC1CCC(S(=O)(=O)N[C@H]2CCCNC(=O)C2)CC1.
What is the InChIKey of N-[(4S)-2-oxoazepan-4-yl]-4-pentylcyclohexane-1-sulfonamide?
The InChIKey is YJDRDYCZXHKPPA-PCKAHOCUSA-N. The full InChI is InChI=1S/C17H32N2O3S/c1-2-3-4-6-14-8-10-16(11-9-14)23(21,22)19-15-7-5-12-18-17(20)13-15/h14-16,19H,2-13H2,1H3,(H,18,20)/t14?,15-,16?/m0/s1.
What are the key properties of N-[(4S)-2-oxoazepan-4-yl]-4-pentylcyclohexane-1-sulfonamide?
N-[(4S)-2-oxoazepan-4-yl]-4-pentylcyclohexane-1-sulfonamide has a molecular weight of 344.52 g/mol, XLogP of 2.71, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4S)-2-oxoazepan-4-yl]-4-pentylcyclohexane-1-sulfonamide is sourced from PubChem (CID 140556941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).