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

C15H31N3O2S — CID 28940614

IUPACN-[1-(aminomethyl)cyclooctyl]azepane-1-sulfonamide
SMILESNCC1(NS(=O)(=O)N2CCCCCC2)CCCCCCC1
InChIInChI=1S/C15H31N3O2S/c16-14-15(10-6-2-1-3-7-11-15)17-21(19,20)18-12-8-4-5-9-13-18/h17H,1-14,16H2
InChIKeyUPZCPMZLRWDIEN-UHFFFAOYSA-N
MW317.50 g/mol
LogP2.14
Rot. Bonds4

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

N-[1-(aminomethyl)cyclooctyl]azepane-1-sulfonamide (PubChem CID 28940614) has the molecular formula C15H31N3O2S and a molecular weight of 317.50 g/mol. Its IUPAC name is N-[1-(aminomethyl)cyclooctyl]azepane-1-sulfonamide.

Molecular Properties

Compound NameN-[1-(aminomethyl)cyclooctyl]azepane-1-sulfonamide
PubChem CID28940614
Molecular FormulaC15H31N3O2S
Molecular Weight317.50 g/mol
Exact Mass317.21
IUPAC NameN-[1-(aminomethyl)cyclooctyl]azepane-1-sulfonamide
SMILESNCC1(NS(=O)(=O)N2CCCCCC2)CCCCCCC1
InChIInChI=1S/C15H31N3O2S/c16-14-15(10-6-2-1-3-7-11-15)17-21(19,20)18-12-8-4-5-9-13-18/h17H,1-14,16H2
InChIKeyUPZCPMZLRWDIEN-UHFFFAOYSA-N
XLogP2.14
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.50
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-amino-2-ethylbutyl)azepane-1-sulfonamide
CID 86814102
N-[1-(aminomethyl)cyclohexyl]azepane-1-sulfonamide
CID 28940482
N-[1-(aminomethyl)cyclopentyl]azepane-1-sulfonamide
CID 28940520
1-(Aminomethyl)-1-(dimethylsulfamoylamino)cyclooctane
CID 28940596
N-[1-(aminomethyl)cyclooctyl]pyrrolidine-1-sulfonamide
CID 28940606
N-[1-(aminomethyl)cyclooctyl]-4-methylpiperidine-1-sulfonamide
CID 28940610
N-[1-(aminomethyl)cyclooctyl]piperidine-1-sulfonamide
CID 28940612
1-(Aminomethyl)-1-(diethylsulfamoylamino)cyclooctane
CID 28940616
1-(Aminomethyl)-1-(sulfamoylamino)cyclooctane
CID 28940624
N-[1-(aminomethyl)cycloheptyl]azepane-1-sulfonamide
CID 28940664
1-(Aminomethyl)-1-(diethylsulfamoylamino)cycloheptane
CID 28940666
N-[1-(aminomethyl)-4-ethylcyclohexyl]azepane-1-sulfonamide
CID 28940744

Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)cyclooctyl]azepane-1-sulfonamide?
The IUPAC name of N-[1-(aminomethyl)cyclooctyl]azepane-1-sulfonamide (CID 28940614) is N-[1-(aminomethyl)cyclooctyl]azepane-1-sulfonamide.
What is the SMILES notation for N-[1-(aminomethyl)cyclooctyl]azepane-1-sulfonamide?
The canonical SMILES for N-[1-(aminomethyl)cyclooctyl]azepane-1-sulfonamide is NCC1(NS(=O)(=O)N2CCCCCC2)CCCCCCC1.
What is the InChIKey of N-[1-(aminomethyl)cyclooctyl]azepane-1-sulfonamide?
The InChIKey is UPZCPMZLRWDIEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O2S/c16-14-15(10-6-2-1-3-7-11-15)17-21(19,20)18-12-8-4-5-9-13-18/h17H,1-14,16H2.
What are the key properties of N-[1-(aminomethyl)cyclooctyl]azepane-1-sulfonamide?
N-[1-(aminomethyl)cyclooctyl]azepane-1-sulfonamide has a molecular weight of 317.50 g/mol, XLogP of 2.14, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)cyclooctyl]azepane-1-sulfonamide is sourced from PubChem (CID 28940614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).