N-[1-(aminomethyl)cyclohexyl]azepane-1-sulfonamide

C13H27N3O2S — CID 28940482

IUPACN-[1-(aminomethyl)cyclohexyl]azepane-1-sulfonamide
SMILESNCC1(NS(=O)(=O)N2CCCCCC2)CCCCC1
InChIInChI=1S/C13H27N3O2S/c14-12-13(8-4-3-5-9-13)15-19(17,18)16-10-6-1-2-7-11-16/h15H,1-12,14H2
InChIKeyGWGAHUVDDHTQNC-UHFFFAOYSA-N
MW289.44 g/mol
LogP1.36
Rot. Bonds4

About N-[1-(aminomethyl)cyclohexyl]azepane-1-sulfonamide

N-[1-(aminomethyl)cyclohexyl]azepane-1-sulfonamide (PubChem CID 28940482) has the molecular formula C13H27N3O2S and a molecular weight of 289.44 g/mol. Its IUPAC name is N-[1-(aminomethyl)cyclohexyl]azepane-1-sulfonamide.

Molecular Properties

Compound NameN-[1-(aminomethyl)cyclohexyl]azepane-1-sulfonamide
PubChem CID28940482
Molecular FormulaC13H27N3O2S
Molecular Weight289.44 g/mol
Exact Mass289.18
IUPAC NameN-[1-(aminomethyl)cyclohexyl]azepane-1-sulfonamide
SMILESNCC1(NS(=O)(=O)N2CCCCCC2)CCCCC1
InChIInChI=1S/C13H27N3O2S/c14-12-13(8-4-3-5-9-13)15-19(17,18)16-10-6-1-2-7-11-16/h15H,1-12,14H2
InChIKeyGWGAHUVDDHTQNC-UHFFFAOYSA-N
XLogP1.36
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.44
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-Amino-1-[[[ethyl(methyl)sulfamoyl]amino]methyl]cyclohexane
CID 86780507
N-(2-amino-2-ethylbutyl)azepane-1-sulfonamide
CID 86814102
N-(3-cyclohexylpropyl)azepane-1-sulfonamide
CID 71896285
N-(4-methylcyclohexyl)azepane-1-sulfonamide
CID 18134642
1-(Aminomethyl)-1-(dimethylsulfamoylamino)cyclohexane
CID 28940464
N-[1-(aminomethyl)cyclohexyl]pyrrolidine-1-sulfonamide
CID 28940474
N-[1-(aminomethyl)cyclohexyl]piperidine-1-sulfonamide
CID 28940480
1-(Aminomethyl)-1-(diethylsulfamoylamino)cyclohexane
CID 28940484
N-[1-(aminomethyl)cyclopentyl]azepane-1-sulfonamide
CID 28940520
N-[1-(aminomethyl)cyclooctyl]azepane-1-sulfonamide
CID 28940614
N-[1-(aminomethyl)cycloheptyl]azepane-1-sulfonamide
CID 28940664
N-[1-(aminomethyl)-4-methylcyclohexyl]azepane-1-sulfonamide
CID 28940704

Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)cyclohexyl]azepane-1-sulfonamide?
The IUPAC name of N-[1-(aminomethyl)cyclohexyl]azepane-1-sulfonamide (CID 28940482) is N-[1-(aminomethyl)cyclohexyl]azepane-1-sulfonamide.
What is the SMILES notation for N-[1-(aminomethyl)cyclohexyl]azepane-1-sulfonamide?
The canonical SMILES for N-[1-(aminomethyl)cyclohexyl]azepane-1-sulfonamide is NCC1(NS(=O)(=O)N2CCCCCC2)CCCCC1.
What is the InChIKey of N-[1-(aminomethyl)cyclohexyl]azepane-1-sulfonamide?
The InChIKey is GWGAHUVDDHTQNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O2S/c14-12-13(8-4-3-5-9-13)15-19(17,18)16-10-6-1-2-7-11-16/h15H,1-12,14H2.
What are the key properties of N-[1-(aminomethyl)cyclohexyl]azepane-1-sulfonamide?
N-[1-(aminomethyl)cyclohexyl]azepane-1-sulfonamide has a molecular weight of 289.44 g/mol, XLogP of 1.36, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)cyclohexyl]azepane-1-sulfonamide is sourced from PubChem (CID 28940482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).