N-[(1-aminocycloheptyl)methyl]ethanesulfonamide

C10H22N2O2S — CID 43598337

IUPACN-[(1-aminocycloheptyl)methyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCC1(N)CCCCCC1
InChIInChI=1S/C10H22N2O2S/c1-2-15(13,14)12-9-10(11)7-5-3-4-6-8-10/h12H,2-9,11H2,1H3
InChIKeyUNEQYIGXXXSMKE-UHFFFAOYSA-N
MW234.36 g/mol
LogP0.98
Rot. Bonds4

About N-[(1-aminocycloheptyl)methyl]ethanesulfonamide

N-[(1-aminocycloheptyl)methyl]ethanesulfonamide (PubChem CID 43598337) has the molecular formula C10H22N2O2S and a molecular weight of 234.36 g/mol. Its IUPAC name is N-[(1-aminocycloheptyl)methyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[(1-aminocycloheptyl)methyl]ethanesulfonamide
PubChem CID43598337
Molecular FormulaC10H22N2O2S
Molecular Weight234.36 g/mol
Exact Mass234.14
IUPAC NameN-[(1-aminocycloheptyl)methyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCC1(N)CCCCCC1
InChIInChI=1S/C10H22N2O2S/c1-2-15(13,14)12-9-10(11)7-5-3-4-6-8-10/h12H,2-9,11H2,1H3
InChIKeyUNEQYIGXXXSMKE-UHFFFAOYSA-N
XLogP0.98
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.36
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[(1-aminocycloheptyl)methyl]ethanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-(aminomethyl)cyclopentyl]ethanesulfonamide
CID 28940534
N-[(3S)-3-ethylcycloheptyl]-2-methylpropane-2-sulfonamide
CID 134966542
N-[1-(aminomethyl)cycloheptyl]-1,1-difluoromethanesulfonamide
CID 28940670
N-[(1-aminocycloheptyl)methyl]-1,1-difluoromethanesulfonamide
CID 43598317
N-[(1-aminocycloheptyl)methyl]-4,4,4-trifluorobutane-1-sulfonamide
CID 83059572
N-[1-(aminomethyl)cycloheptyl]-4,4,4-trifluorobutane-1-sulfonamide
CID 83067938
3-[1-(Aminomethyl)cycloheptyl]propane-1-sulfonamide
CID 17826882
[1-(Aminomethyl)cycloheptyl]methanesulfonamide
CID 21888356
N-[1-(aminomethyl)cycloheptyl]methanesulfonamide
CID 28940684
1-Amino-2-methyloctane-4-sulfonamide
CID 57090687
N-(cycloheptylmethyl)propane-2-sulfonamide
CID 57118217
1-(1-aminocyclohexyl)-N-ethylmethanesulfonamide
CID 71057607

Frequently Asked Questions

What is the IUPAC name of N-[(1-aminocycloheptyl)methyl]ethanesulfonamide?
The IUPAC name of N-[(1-aminocycloheptyl)methyl]ethanesulfonamide (CID 43598337) is N-[(1-aminocycloheptyl)methyl]ethanesulfonamide.
What is the SMILES notation for N-[(1-aminocycloheptyl)methyl]ethanesulfonamide?
The canonical SMILES for N-[(1-aminocycloheptyl)methyl]ethanesulfonamide is CCS(=O)(=O)NCC1(N)CCCCCC1.
What is the InChIKey of N-[(1-aminocycloheptyl)methyl]ethanesulfonamide?
The InChIKey is UNEQYIGXXXSMKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O2S/c1-2-15(13,14)12-9-10(11)7-5-3-4-6-8-10/h12H,2-9,11H2,1H3.
What are the key properties of N-[(1-aminocycloheptyl)methyl]ethanesulfonamide?
N-[(1-aminocycloheptyl)methyl]ethanesulfonamide has a molecular weight of 234.36 g/mol, XLogP of 0.98, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-aminocycloheptyl)methyl]ethanesulfonamide is sourced from PubChem (CID 43598337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).