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

C12H25N3O2S — CID 28940520

IUPACN-[1-(aminomethyl)cyclopentyl]azepane-1-sulfonamide
SMILESNCC1(NS(=O)(=O)N2CCCCCC2)CCCC1
InChIInChI=1S/C12H25N3O2S/c13-11-12(7-3-4-8-12)14-18(16,17)15-9-5-1-2-6-10-15/h14H,1-11,13H2
InChIKeyHVJMQVQSTOSNHS-UHFFFAOYSA-N
MW275.42 g/mol
LogP0.97
Rot. Bonds4

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

N-[1-(aminomethyl)cyclopentyl]azepane-1-sulfonamide (PubChem CID 28940520) has the molecular formula C12H25N3O2S and a molecular weight of 275.42 g/mol. Its IUPAC name is N-[1-(aminomethyl)cyclopentyl]azepane-1-sulfonamide.

Molecular Properties

Compound NameN-[1-(aminomethyl)cyclopentyl]azepane-1-sulfonamide
PubChem CID28940520
Molecular FormulaC12H25N3O2S
Molecular Weight275.42 g/mol
Exact Mass275.17
IUPAC NameN-[1-(aminomethyl)cyclopentyl]azepane-1-sulfonamide
SMILESNCC1(NS(=O)(=O)N2CCCCCC2)CCCC1
InChIInChI=1S/C12H25N3O2S/c13-11-12(7-3-4-8-12)14-18(16,17)15-9-5-1-2-6-10-15/h14H,1-11,13H2
InChIKeyHVJMQVQSTOSNHS-UHFFFAOYSA-N
XLogP0.97
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.42
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-amino-2-ethylbutyl)azepane-1-sulfonamide
CID 86814102
4-[2-(Sulfamoylamino)ethyl]azepane
CID 156824067
N-[1-(aminomethyl)cyclohexyl]azepane-1-sulfonamide
CID 28940482
1-(Aminomethyl)-1-(dimethylsulfamoylamino)cyclopentane
CID 28940502
N-[1-(aminomethyl)cyclopentyl]pyrrolidine-1-sulfonamide
CID 28940512
N-[1-(aminomethyl)cyclopentyl]piperidine-1-sulfonamide
CID 28940518
1-(Aminomethyl)-1-(diethylsulfamoylamino)cyclopentane
CID 28940522
N-[1-(aminomethyl)cyclooctyl]azepane-1-sulfonamide
CID 28940614
N-[1-(aminomethyl)cycloheptyl]azepane-1-sulfonamide
CID 28940664
N-cyclopentylazepane-1-sulfonamide
CID 31065839
N-[(1-aminocyclohexyl)methyl]azepane-1-sulfonamide
CID 43598186
N-[(1-aminocycloheptyl)methyl]azepane-1-sulfonamide
CID 43598293

Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)cyclopentyl]azepane-1-sulfonamide?
The IUPAC name of N-[1-(aminomethyl)cyclopentyl]azepane-1-sulfonamide (CID 28940520) is N-[1-(aminomethyl)cyclopentyl]azepane-1-sulfonamide.
What is the SMILES notation for N-[1-(aminomethyl)cyclopentyl]azepane-1-sulfonamide?
The canonical SMILES for N-[1-(aminomethyl)cyclopentyl]azepane-1-sulfonamide is NCC1(NS(=O)(=O)N2CCCCCC2)CCCC1.
What is the InChIKey of N-[1-(aminomethyl)cyclopentyl]azepane-1-sulfonamide?
The InChIKey is HVJMQVQSTOSNHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O2S/c13-11-12(7-3-4-8-12)14-18(16,17)15-9-5-1-2-6-10-15/h14H,1-11,13H2.
What are the key properties of N-[1-(aminomethyl)cyclopentyl]azepane-1-sulfonamide?
N-[1-(aminomethyl)cyclopentyl]azepane-1-sulfonamide has a molecular weight of 275.42 g/mol, XLogP of 0.97, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)cyclopentyl]azepane-1-sulfonamide is sourced from PubChem (CID 28940520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).