N-[1-(aminomethyl)cycloheptyl]ethanesulfonamide

C10H22N2O2S — CID 28940676

IUPACN-[1-(aminomethyl)cycloheptyl]ethanesulfonamide
SMILESCCS(=O)(=O)NC1(CN)CCCCCC1
InChIInChI=1S/C10H22N2O2S/c1-2-15(13,14)12-10(9-11)7-5-3-4-6-8-10/h12H,2-9,11H2,1H3
InChIKeyHWKTZZIPBGYRAU-UHFFFAOYSA-N
MW234.36 g/mol
LogP0.98
Rot. Bonds4

About N-[1-(aminomethyl)cycloheptyl]ethanesulfonamide

N-[1-(aminomethyl)cycloheptyl]ethanesulfonamide (PubChem CID 28940676) has the molecular formula C10H22N2O2S and a molecular weight of 234.36 g/mol. Its IUPAC name is N-[1-(aminomethyl)cycloheptyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[1-(aminomethyl)cycloheptyl]ethanesulfonamide
PubChem CID28940676
Molecular FormulaC10H22N2O2S
Molecular Weight234.36 g/mol
Exact Mass234.14
IUPAC NameN-[1-(aminomethyl)cycloheptyl]ethanesulfonamide
SMILESCCS(=O)(=O)NC1(CN)CCCCCC1
InChIInChI=1S/C10H22N2O2S/c1-2-15(13,14)12-10(9-11)7-5-3-4-6-8-10/h12H,2-9,11H2,1H3
InChIKeyHWKTZZIPBGYRAU-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

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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-(aminomethyl)cycloheptyl]ethanesulfonamide?
The IUPAC name of N-[1-(aminomethyl)cycloheptyl]ethanesulfonamide (CID 28940676) is N-[1-(aminomethyl)cycloheptyl]ethanesulfonamide.
What is the SMILES notation for N-[1-(aminomethyl)cycloheptyl]ethanesulfonamide?
The canonical SMILES for N-[1-(aminomethyl)cycloheptyl]ethanesulfonamide is CCS(=O)(=O)NC1(CN)CCCCCC1.
What is the InChIKey of N-[1-(aminomethyl)cycloheptyl]ethanesulfonamide?
The InChIKey is HWKTZZIPBGYRAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O2S/c1-2-15(13,14)12-10(9-11)7-5-3-4-6-8-10/h12H,2-9,11H2,1H3.
What are the key properties of N-[1-(aminomethyl)cycloheptyl]ethanesulfonamide?
N-[1-(aminomethyl)cycloheptyl]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-(aminomethyl)cycloheptyl]ethanesulfonamide is sourced from PubChem (CID 28940676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).