N-[2-(azepan-1-ylsulfonyl)ethyl]cyclohexanecarboxamide

C15H28N2O3S — CID 110345998

IUPACN-[2-(azepan-1-ylsulfonyl)ethyl]cyclohexanecarboxamide
SMILESO=C(NCCS(=O)(=O)N1CCCCCC1)C1CCCCC1
InChIInChI=1S/C15H28N2O3S/c18-15(14-8-4-3-5-9-14)16-10-13-21(19,20)17-11-6-1-2-7-12-17/h14H,1-13H2,(H,16,18)
InChIKeyUKBZOYZBHWUIAQ-UHFFFAOYSA-N
MW316.47 g/mol
LogP1.89
Rot. Bonds5

About N-[2-(azepan-1-ylsulfonyl)ethyl]cyclohexanecarboxamide

N-[2-(azepan-1-ylsulfonyl)ethyl]cyclohexanecarboxamide (PubChem CID 110345998) has the molecular formula C15H28N2O3S and a molecular weight of 316.47 g/mol. Its IUPAC name is N-[2-(azepan-1-ylsulfonyl)ethyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[2-(azepan-1-ylsulfonyl)ethyl]cyclohexanecarboxamide
PubChem CID110345998
Molecular FormulaC15H28N2O3S
Molecular Weight316.47 g/mol
Exact Mass316.18
IUPAC NameN-[2-(azepan-1-ylsulfonyl)ethyl]cyclohexanecarboxamide
SMILESO=C(NCCS(=O)(=O)N1CCCCCC1)C1CCCCC1
InChIInChI=1S/C15H28N2O3S/c18-15(14-8-4-3-5-9-14)16-10-13-21(19,20)17-11-6-1-2-7-12-17/h14H,1-13H2,(H,16,18)
InChIKeyUKBZOYZBHWUIAQ-UHFFFAOYSA-N
XLogP1.89
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.47
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[4-(4-chlorophenyl)piperazin-1-yl]sulfonylethyl]cyclopentanecarboxamide
CID 41349872
N-[2-[4-(2-phenylethyl)piperazin-1-yl]sulfonylethyl]cyclopentanecarboxamide;hydrochloride
CID 16881168
N-[2-(azepan-1-ylsulfonyl)ethyl]propanamide
CID 110345992
N-(2-pyrrolidin-1-ylsulfonylethyl)-2,5-dihydro-1H-pyrrole-2-carboxamide;hydrochloride
CID 154911346
2,2-dimethyl-N-(2-pyrrolidin-1-ylsulfonylethyl)propanamide
CID 110345330
N-(2-methylsulfonylethyl)cyclopropanecarboxamide
CID 61066556
N-[2-(methanesulfonamido)ethyl]cyclopentanecarboxamide
CID 36904039
N-[2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl]cyclohexanecarboxamide
CID 30148136
N-[2-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylethyl]cyclopropanecarboxamide
CID 7188764
(3R)-N-(3-oxo-3-piperidin-1-ylpropyl)-1-propylsulfonylpiperidine-3-carboxamide
CID 94101912
(3R)-N-heptyl-1-propylsulfonylpiperidine-3-carboxamide
CID 98365618
(3S)-N-heptyl-1-propylsulfonylpiperidine-3-carboxamide
CID 98365619

Frequently Asked Questions

What is the IUPAC name of N-[2-(azepan-1-ylsulfonyl)ethyl]cyclohexanecarboxamide?
The IUPAC name of N-[2-(azepan-1-ylsulfonyl)ethyl]cyclohexanecarboxamide (CID 110345998) is N-[2-(azepan-1-ylsulfonyl)ethyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[2-(azepan-1-ylsulfonyl)ethyl]cyclohexanecarboxamide?
The canonical SMILES for N-[2-(azepan-1-ylsulfonyl)ethyl]cyclohexanecarboxamide is O=C(NCCS(=O)(=O)N1CCCCCC1)C1CCCCC1.
What is the InChIKey of N-[2-(azepan-1-ylsulfonyl)ethyl]cyclohexanecarboxamide?
The InChIKey is UKBZOYZBHWUIAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3S/c18-15(14-8-4-3-5-9-14)16-10-13-21(19,20)17-11-6-1-2-7-12-17/h14H,1-13H2,(H,16,18).
What are the key properties of N-[2-(azepan-1-ylsulfonyl)ethyl]cyclohexanecarboxamide?
N-[2-(azepan-1-ylsulfonyl)ethyl]cyclohexanecarboxamide has a molecular weight of 316.47 g/mol, XLogP of 1.89, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(azepan-1-ylsulfonyl)ethyl]cyclohexanecarboxamide is sourced from PubChem (CID 110345998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).