N-[1-(aminomethyl)cyclohexyl]ethanesulfonamide

C9H20N2O2S — CID 28940494

IUPACN-[1-(aminomethyl)cyclohexyl]ethanesulfonamide
SMILESCCS(=O)(=O)NC1(CN)CCCCC1
InChIInChI=1S/C9H20N2O2S/c1-2-14(12,13)11-9(8-10)6-4-3-5-7-9/h11H,2-8,10H2,1H3
InChIKeyNTFHMXGOYRFFJO-UHFFFAOYSA-N
MW220.34 g/mol
LogP0.59
Rot. Bonds4

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

N-[1-(aminomethyl)cyclohexyl]ethanesulfonamide (PubChem CID 28940494) has the molecular formula C9H20N2O2S and a molecular weight of 220.34 g/mol. Its IUPAC name is N-[1-(aminomethyl)cyclohexyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[1-(aminomethyl)cyclohexyl]ethanesulfonamide
PubChem CID28940494
Molecular FormulaC9H20N2O2S
Molecular Weight220.34 g/mol
Exact Mass220.12
IUPAC NameN-[1-(aminomethyl)cyclohexyl]ethanesulfonamide
SMILESCCS(=O)(=O)NC1(CN)CCCCC1
InChIInChI=1S/C9H20N2O2S/c1-2-14(12,13)11-9(8-10)6-4-3-5-7-9/h11H,2-8,10H2,1H3
InChIKeyNTFHMXGOYRFFJO-UHFFFAOYSA-N
XLogP0.59
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.34
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(aminomethyl)cyclohexyl]methanesulfonamide
CID 16227899
N-(4-amino-4-methylcyclohexyl)cyclopropanesulfonamide hydrochloride
CID 165950070
N-[1-(aminomethyl)cyclopentyl]ethanesulfonamide
CID 28940534
1-cyclohexyl-N-pentan-3-ylmethanesulfonamide
CID 72148715
N-[(1-aminocyclohexyl)methyl]-2-propan-2-yloxyethanesulfonamide
CID 79594656
1-cyclohexyl-N-[(2S)-5-methylhexan-2-yl]methanesulfonamide
CID 95733766
N-({1-[ethyl(methyl)amino]cyclohexyl}methyl)-2-methylpropane-1-sulfonamide
CID 131936428
1-(1-aminocyclohexyl)-N-(1-fluoro-2-methylpropan-2-yl)-N-methylmethanesulfonamide
CID 71057771
1-(1-aminocyclohexyl)-N-(1-fluoro-2-methylpropan-2-yl)methanesulfonamide
CID 71057816
1-(1-aminocyclohexyl)-N-methyl-N-(2,2,2-trifluoroethyl)methanesulfonamide
CID 71057841
N-[1-(aminomethyl)-3-methylcyclohexyl]-4,4,4-trifluorobutane-1-sulfonamide
CID 83058256
N-[(1-aminocyclohexyl)methyl]-4,4,4-trifluorobutane-1-sulfonamide
CID 83059415

Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)cyclohexyl]ethanesulfonamide?
The IUPAC name of N-[1-(aminomethyl)cyclohexyl]ethanesulfonamide (CID 28940494) is N-[1-(aminomethyl)cyclohexyl]ethanesulfonamide.
What is the SMILES notation for N-[1-(aminomethyl)cyclohexyl]ethanesulfonamide?
The canonical SMILES for N-[1-(aminomethyl)cyclohexyl]ethanesulfonamide is CCS(=O)(=O)NC1(CN)CCCCC1.
What is the InChIKey of N-[1-(aminomethyl)cyclohexyl]ethanesulfonamide?
The InChIKey is NTFHMXGOYRFFJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O2S/c1-2-14(12,13)11-9(8-10)6-4-3-5-7-9/h11H,2-8,10H2,1H3.
What are the key properties of N-[1-(aminomethyl)cyclohexyl]ethanesulfonamide?
N-[1-(aminomethyl)cyclohexyl]ethanesulfonamide has a molecular weight of 220.34 g/mol, XLogP of 0.59, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)cyclohexyl]ethanesulfonamide is sourced from PubChem (CID 28940494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).