N-[1-(aminomethyl)-4-ethylcyclohexyl]azepane-1-sulfonamide

C15H31N3O2S — CID 28940744

IUPACN-[1-(aminomethyl)-4-ethylcyclohexyl]azepane-1-sulfonamide
SMILESCCC1CCC(CN)(NS(=O)(=O)N2CCCCCC2)CC1
InChIInChI=1S/C15H31N3O2S/c1-2-14-7-9-15(13-16,10-8-14)17-21(19,20)18-11-5-3-4-6-12-18/h14,17H,2-13,16H2,1H3
InChIKeyFSMOPOQATBTGAA-UHFFFAOYSA-N
MW317.50 g/mol
LogP1.99
Rot. Bonds5

About N-[1-(aminomethyl)-4-ethylcyclohexyl]azepane-1-sulfonamide

N-[1-(aminomethyl)-4-ethylcyclohexyl]azepane-1-sulfonamide (PubChem CID 28940744) has the molecular formula C15H31N3O2S and a molecular weight of 317.50 g/mol. Its IUPAC name is N-[1-(aminomethyl)-4-ethylcyclohexyl]azepane-1-sulfonamide.

Molecular Properties

Compound NameN-[1-(aminomethyl)-4-ethylcyclohexyl]azepane-1-sulfonamide
PubChem CID28940744
Molecular FormulaC15H31N3O2S
Molecular Weight317.50 g/mol
Exact Mass317.21
IUPAC NameN-[1-(aminomethyl)-4-ethylcyclohexyl]azepane-1-sulfonamide
SMILESCCC1CCC(CN)(NS(=O)(=O)N2CCCCCC2)CC1
InChIInChI=1S/C15H31N3O2S/c1-2-14-7-9-15(13-16,10-8-14)17-21(19,20)18-11-5-3-4-6-12-18/h14,17H,2-13,16H2,1H3
InChIKeyFSMOPOQATBTGAA-UHFFFAOYSA-N
XLogP1.99
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.50
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-cyclohexylpropyl)azepane-1-sulfonamide
CID 71896285
N-(4-methylcyclohexyl)azepane-1-sulfonamide
CID 18134642
N-[1-(aminomethyl)cyclohexyl]azepane-1-sulfonamide
CID 28940482
N-[1-(aminomethyl)cyclooctyl]azepane-1-sulfonamide
CID 28940614
N-[1-(aminomethyl)cycloheptyl]-4-methylpiperidine-1-sulfonamide
CID 28940660
N-[1-(aminomethyl)cycloheptyl]azepane-1-sulfonamide
CID 28940664
1-(Aminomethyl)-1-(dimethylsulfamoylamino)-4-methylcyclohexane
CID 28940686
N-[1-(aminomethyl)-4-methylcyclohexyl]pyrrolidine-1-sulfonamide
CID 28940696
N-[1-(aminomethyl)-4-methylcyclohexyl]-4-methylpiperidine-1-sulfonamide
CID 28940700
N-[1-(aminomethyl)-4-methylcyclohexyl]piperidine-1-sulfonamide
CID 28940702
N-[1-(aminomethyl)-4-methylcyclohexyl]azepane-1-sulfonamide
CID 28940704
1-(Aminomethyl)-1-(diethylsulfamoylamino)-4-methylcyclohexane
CID 28940706

Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)-4-ethylcyclohexyl]azepane-1-sulfonamide?
The IUPAC name of N-[1-(aminomethyl)-4-ethylcyclohexyl]azepane-1-sulfonamide (CID 28940744) is N-[1-(aminomethyl)-4-ethylcyclohexyl]azepane-1-sulfonamide.
What is the SMILES notation for N-[1-(aminomethyl)-4-ethylcyclohexyl]azepane-1-sulfonamide?
The canonical SMILES for N-[1-(aminomethyl)-4-ethylcyclohexyl]azepane-1-sulfonamide is CCC1CCC(CN)(NS(=O)(=O)N2CCCCCC2)CC1.
What is the InChIKey of N-[1-(aminomethyl)-4-ethylcyclohexyl]azepane-1-sulfonamide?
The InChIKey is FSMOPOQATBTGAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O2S/c1-2-14-7-9-15(13-16,10-8-14)17-21(19,20)18-11-5-3-4-6-12-18/h14,17H,2-13,16H2,1H3.
What are the key properties of N-[1-(aminomethyl)-4-ethylcyclohexyl]azepane-1-sulfonamide?
N-[1-(aminomethyl)-4-ethylcyclohexyl]azepane-1-sulfonamide has a molecular weight of 317.50 g/mol, XLogP of 1.99, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)-4-ethylcyclohexyl]azepane-1-sulfonamide is sourced from PubChem (CID 28940744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).