N-(azepan-4-yl)cyclopentanesulfonamide

C11H22N2O2S — CID 107172836

IUPACN-(azepan-4-yl)cyclopentanesulfonamide
SMILESO=S(=O)(NC1CCCNCC1)C1CCCC1
InChIInChI=1S/C11H22N2O2S/c14-16(15,11-5-1-2-6-11)13-10-4-3-8-12-9-7-10/h10-13H,1-9H2
InChIKeyJCKZGHUFEOGJQR-UHFFFAOYSA-N
MW246.38 g/mol
LogP0.99
Rot. Bonds3

About N-(azepan-4-yl)cyclopentanesulfonamide

N-(azepan-4-yl)cyclopentanesulfonamide (PubChem CID 107172836) has the molecular formula C11H22N2O2S and a molecular weight of 246.38 g/mol. Its IUPAC name is N-(azepan-4-yl)cyclopentanesulfonamide.

Molecular Properties

Compound NameN-(azepan-4-yl)cyclopentanesulfonamide
PubChem CID107172836
Molecular FormulaC11H22N2O2S
Molecular Weight246.38 g/mol
Exact Mass246.14
IUPAC NameN-(azepan-4-yl)cyclopentanesulfonamide
SMILESO=S(=O)(NC1CCCNCC1)C1CCCC1
InChIInChI=1S/C11H22N2O2S/c14-16(15,11-5-1-2-6-11)13-10-4-3-8-12-9-7-10/h10-13H,1-9H2
InChIKeyJCKZGHUFEOGJQR-UHFFFAOYSA-N
XLogP0.99
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.38
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-piperidin-4-ylcyclopentanesulfonamide
CID 115752108
N-(4-bromocyclohexyl)cyclohexanesulfonamide
CID 114295814
N-[4-(hydroxymethyl)cyclohexyl]cyclopentanesulfonamide
CID 115277356
1,1-dioxo-N-[(3R)-pyrrolidin-3-yl]thiane-4-sulfonamide
CID 79686071
azepane-4-sulfonamide
CID 137380068
N-(azepan-4-yl)-3-bromobenzenesulfonamide
CID 107172896
N-[4-(bromomethyl)cyclohexyl]cyclohexanesulfonamide
CID 112753043
N-(azepan-4-yl)-1-(oxolan-2-yl)methanesulfonamide
CID 107172917
methyl 2-(piperidin-4-ylsulfamoyl)cyclohexane-1-carboxylate;hydrochloride
CID 120874430
N-(azepan-4-yl)-1-cyanopropane-1-sulfonamide
CID 107172726
N-(oxan-3-yl)pyrrolidine-3-sulfonamide
CID 65418986
(3R)-N-cyclopentyl-1-methylsulfonylpiperidine-3-sulfonamide
CID 97348297

Frequently Asked Questions

What is the IUPAC name of N-(azepan-4-yl)cyclopentanesulfonamide?
The IUPAC name of N-(azepan-4-yl)cyclopentanesulfonamide (CID 107172836) is N-(azepan-4-yl)cyclopentanesulfonamide.
What is the SMILES notation for N-(azepan-4-yl)cyclopentanesulfonamide?
The canonical SMILES for N-(azepan-4-yl)cyclopentanesulfonamide is O=S(=O)(NC1CCCNCC1)C1CCCC1.
What is the InChIKey of N-(azepan-4-yl)cyclopentanesulfonamide?
The InChIKey is JCKZGHUFEOGJQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2S/c14-16(15,11-5-1-2-6-11)13-10-4-3-8-12-9-7-10/h10-13H,1-9H2.
What are the key properties of N-(azepan-4-yl)cyclopentanesulfonamide?
N-(azepan-4-yl)cyclopentanesulfonamide has a molecular weight of 246.38 g/mol, XLogP of 0.99, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azepan-4-yl)cyclopentanesulfonamide is sourced from PubChem (CID 107172836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).