N-(2-ethylcyclohexyl)azepane-1-sulfonamide

C14H28N2O2S — CID 47030327

IUPACN-(2-ethylcyclohexyl)azepane-1-sulfonamide
SMILESCCC1CCCCC1NS(=O)(=O)N1CCCCCC1
InChIInChI=1S/C14H28N2O2S/c1-2-13-9-5-6-10-14(13)15-19(17,18)16-11-7-3-4-8-12-16/h13-15H,2-12H2,1H3
InChIKeyZCPAWJMPHHTPRO-UHFFFAOYSA-N
MW288.46 g/mol
LogP2.67
Rot. Bonds4

About N-(2-ethylcyclohexyl)azepane-1-sulfonamide

N-(2-ethylcyclohexyl)azepane-1-sulfonamide (PubChem CID 47030327) has the molecular formula C14H28N2O2S and a molecular weight of 288.46 g/mol. Its IUPAC name is N-(2-ethylcyclohexyl)azepane-1-sulfonamide.

Molecular Properties

Compound NameN-(2-ethylcyclohexyl)azepane-1-sulfonamide
PubChem CID47030327
Molecular FormulaC14H28N2O2S
Molecular Weight288.46 g/mol
Exact Mass288.19
IUPAC NameN-(2-ethylcyclohexyl)azepane-1-sulfonamide
SMILESCCC1CCCCC1NS(=O)(=O)N1CCCCCC1
InChIInChI=1S/C14H28N2O2S/c1-2-13-9-5-6-10-14(13)15-19(17,18)16-11-7-3-4-8-12-16/h13-15H,2-12H2,1H3
InChIKeyZCPAWJMPHHTPRO-UHFFFAOYSA-N
XLogP2.67
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.46
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-ethylcyclohexyl)-4-(methylaminomethyl)piperidine-1-sulfonamide
CID 106002916
N-[2-(aminomethyl)cyclohexyl]piperidine-1-sulfonamide;hydrochloride
CID 119986003
1-[[2-(hydroxymethyl)cyclohexyl]sulfamoyl]piperidine-4-carboxylic acid
CID 106359363
N-cycloheptylpiperidine-1-sulfonamide
CID 110705910
N-[2-(chloromethyl)cyclohexyl]-3-methylpiperidine-1-sulfonamide
CID 106367836
N-[2-(bromomethyl)cyclohexyl]-3-methylpiperidine-1-sulfonamide
CID 114179805
N-[4-(ethylamino)cyclohexyl]piperidine-1-sulfonamide
CID 43653572
2-(piperidin-1-ylsulfonylamino)cyclopentane-1-carbothioamide
CID 62957475
N-(2-methylpiperidin-3-yl)piperidine-1-sulfonamide;hydrochloride
CID 120726603
1-[[2-(hydroxymethyl)cyclopentyl]sulfamoyl]piperidine-3-carboxylic acid
CID 106359331
N-[4-(methylamino)cyclohexyl]piperidine-1-sulfonamide
CID 43653532
4-[(2-ethylcyclohexyl)sulfamoyl]butanoic acid
CID 43711222

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylcyclohexyl)azepane-1-sulfonamide?
The IUPAC name of N-(2-ethylcyclohexyl)azepane-1-sulfonamide (CID 47030327) is N-(2-ethylcyclohexyl)azepane-1-sulfonamide.
What is the SMILES notation for N-(2-ethylcyclohexyl)azepane-1-sulfonamide?
The canonical SMILES for N-(2-ethylcyclohexyl)azepane-1-sulfonamide is CCC1CCCCC1NS(=O)(=O)N1CCCCCC1.
What is the InChIKey of N-(2-ethylcyclohexyl)azepane-1-sulfonamide?
The InChIKey is ZCPAWJMPHHTPRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2S/c1-2-13-9-5-6-10-14(13)15-19(17,18)16-11-7-3-4-8-12-16/h13-15H,2-12H2,1H3.
What are the key properties of N-(2-ethylcyclohexyl)azepane-1-sulfonamide?
N-(2-ethylcyclohexyl)azepane-1-sulfonamide has a molecular weight of 288.46 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylcyclohexyl)azepane-1-sulfonamide is sourced from PubChem (CID 47030327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).