N-(1-cyanobutyl)azepane-1-sulfonamide

C11H21N3O2S — CID 61123866

IUPACN-(1-cyanobutyl)azepane-1-sulfonamide
SMILESCCCC(C#N)NS(=O)(=O)N1CCCCCC1
InChIInChI=1S/C11H21N3O2S/c1-2-7-11(10-12)13-17(15,16)14-8-5-3-4-6-9-14/h11,13H,2-9H2,1H3
InChIKeyXBCXKAWFXPLOSI-UHFFFAOYSA-N
MW259.37 g/mol
LogP1.39
Rot. Bonds5

About N-(1-cyanobutyl)azepane-1-sulfonamide

N-(1-cyanobutyl)azepane-1-sulfonamide (PubChem CID 61123866) has the molecular formula C11H21N3O2S and a molecular weight of 259.37 g/mol. Its IUPAC name is N-(1-cyanobutyl)azepane-1-sulfonamide.

Molecular Properties

Compound NameN-(1-cyanobutyl)azepane-1-sulfonamide
PubChem CID61123866
Molecular FormulaC11H21N3O2S
Molecular Weight259.37 g/mol
Exact Mass259.14
IUPAC NameN-(1-cyanobutyl)azepane-1-sulfonamide
SMILESCCCC(C#N)NS(=O)(=O)N1CCCCCC1
InChIInChI=1S/C11H21N3O2S/c1-2-7-11(10-12)13-17(15,16)14-8-5-3-4-6-9-14/h11,13H,2-9H2,1H3
InChIKeyXBCXKAWFXPLOSI-UHFFFAOYSA-N
XLogP1.39
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.37
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-aminobutyl)azepane-1-sulfonamide
CID 63251227
N-[(2S)-1-aminohexan-2-yl]azepane-1-sulfonamide
CID 99628716
N-Butylazepane-1-sulfonamide
CID 71367847
(4S)-4-(dimethylsulfamoylamino)azepane;hydrochloride
CID 177772858
[[2-Cyanoethyl(methyl)sulfamoyl]amino]cycloheptane
CID 35431102
N-(3-aminopropyl)-N-propan-2-ylazepane-1-sulfonamide
CID 43136963
N-ethylazepane-1-sulfonamide
CID 43213421
N-propylazepane-1-sulfonamide
CID 43213426
N-[3-(propan-2-ylamino)propyl]azepane-1-sulfonamide
CID 43606827
N-(2-cyanoethyl)-N-propan-2-ylazepane-1-sulfonamide
CID 54996544
N-[2-(propan-2-ylamino)ethyl]azepane-1-sulfonamide
CID 55100735
N-(1-aminopentan-3-yl)azepane-1-sulfonamide
CID 55101488

Frequently Asked Questions

What is the IUPAC name of N-(1-cyanobutyl)azepane-1-sulfonamide?
The IUPAC name of N-(1-cyanobutyl)azepane-1-sulfonamide (CID 61123866) is N-(1-cyanobutyl)azepane-1-sulfonamide.
What is the SMILES notation for N-(1-cyanobutyl)azepane-1-sulfonamide?
The canonical SMILES for N-(1-cyanobutyl)azepane-1-sulfonamide is CCCC(C#N)NS(=O)(=O)N1CCCCCC1.
What is the InChIKey of N-(1-cyanobutyl)azepane-1-sulfonamide?
The InChIKey is XBCXKAWFXPLOSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O2S/c1-2-7-11(10-12)13-17(15,16)14-8-5-3-4-6-9-14/h11,13H,2-9H2,1H3.
What are the key properties of N-(1-cyanobutyl)azepane-1-sulfonamide?
N-(1-cyanobutyl)azepane-1-sulfonamide has a molecular weight of 259.37 g/mol, XLogP of 1.39, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanobutyl)azepane-1-sulfonamide is sourced from PubChem (CID 61123866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).