N-[(4-aminocyclohexyl)methyl]ethanesulfonamide

C9H20N2O2S — CID 59230926

IUPACN-[(4-aminocyclohexyl)methyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCC1CCC(N)CC1
InChIInChI=1S/C9H20N2O2S/c1-2-14(12,13)11-7-8-3-5-9(10)6-4-8/h8-9,11H,2-7,10H2,1H3
InChIKeyIZVVDCFERUNAKJ-UHFFFAOYSA-N
MW220.34 g/mol
LogP0.44
Rot. Bonds4

About N-[(4-aminocyclohexyl)methyl]ethanesulfonamide

N-[(4-aminocyclohexyl)methyl]ethanesulfonamide (PubChem CID 59230926) has the molecular formula C9H20N2O2S and a molecular weight of 220.34 g/mol. Its IUPAC name is N-[(4-aminocyclohexyl)methyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[(4-aminocyclohexyl)methyl]ethanesulfonamide
PubChem CID59230926
Molecular FormulaC9H20N2O2S
Molecular Weight220.34 g/mol
Exact Mass220.12
IUPAC NameN-[(4-aminocyclohexyl)methyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCC1CCC(N)CC1
InChIInChI=1S/C9H20N2O2S/c1-2-14(12,13)11-7-8-3-5-9(10)6-4-8/h8-9,11H,2-7,10H2,1H3
InChIKeyIZVVDCFERUNAKJ-UHFFFAOYSA-N
XLogP0.44
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 ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Trans-(4-(methylamino)cyclohexyl)methanesulfonic acid
CID 130297570
N-(cyclohexylmethyl)methanesulfonamide
CID 19684282
N-(2-(aminomethyl)cyclohexyl)methanesulfonamide hydrochloride
CID 119031028
N-(4-amino-4-methylcyclohexyl)cyclopropanesulfonamide hydrochloride
CID 165950070
2-Amino-2-cyclohexylethanesulfonic acid
CID 10798377
3-Amino-3-cyclohexylpropane-1-sulfonic acid
CID 21666758
N-(cyclohexylmethyl)cyclohexanesulfonamide
CID 72138709
1-cyclohexyl-N-pentan-3-ylmethanesulfonamide
CID 72148715
N-(3-ethylcyclohexyl)-3,3-dimethylbutane-1-sulfonamide
CID 91643251
1-cyclohexyl-N-[(2S)-5-methylhexan-2-yl]methanesulfonamide
CID 95733766
N-[4-(aminomethyl)cyclohexyl]-2,2,2-trifluoroethanesulfonamide
CID 132113259
N-[4-(2-aminoethyl)cyclohexyl]-2,2,2-trifluoroethanesulfonamide
CID 155399157

Frequently Asked Questions

What is the IUPAC name of N-[(4-aminocyclohexyl)methyl]ethanesulfonamide?
The IUPAC name of N-[(4-aminocyclohexyl)methyl]ethanesulfonamide (CID 59230926) is N-[(4-aminocyclohexyl)methyl]ethanesulfonamide.
What is the SMILES notation for N-[(4-aminocyclohexyl)methyl]ethanesulfonamide?
The canonical SMILES for N-[(4-aminocyclohexyl)methyl]ethanesulfonamide is CCS(=O)(=O)NCC1CCC(N)CC1.
What is the InChIKey of N-[(4-aminocyclohexyl)methyl]ethanesulfonamide?
The InChIKey is IZVVDCFERUNAKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O2S/c1-2-14(12,13)11-7-8-3-5-9(10)6-4-8/h8-9,11H,2-7,10H2,1H3.
What are the key properties of N-[(4-aminocyclohexyl)methyl]ethanesulfonamide?
N-[(4-aminocyclohexyl)methyl]ethanesulfonamide has a molecular weight of 220.34 g/mol, XLogP of 0.44, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-aminocyclohexyl)methyl]ethanesulfonamide is sourced from PubChem (CID 59230926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).