N-[1-(aminomethyl)cyclohexyl]propane-1-sulfonamide

C10H22N2O2S — CID 28940498

IUPACN-[1-(aminomethyl)cyclohexyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NC1(CN)CCCCC1
InChIInChI=1S/C10H22N2O2S/c1-2-8-15(13,14)12-10(9-11)6-4-3-5-7-10/h12H,2-9,11H2,1H3
InChIKeyKMIHOXSTCUYTME-UHFFFAOYSA-N
MW234.36 g/mol
LogP0.98
Rot. Bonds5

About N-[1-(aminomethyl)cyclohexyl]propane-1-sulfonamide

N-[1-(aminomethyl)cyclohexyl]propane-1-sulfonamide (PubChem CID 28940498) has the molecular formula C10H22N2O2S and a molecular weight of 234.36 g/mol. Its IUPAC name is N-[1-(aminomethyl)cyclohexyl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[1-(aminomethyl)cyclohexyl]propane-1-sulfonamide
PubChem CID28940498
Molecular FormulaC10H22N2O2S
Molecular Weight234.36 g/mol
Exact Mass234.14
IUPAC NameN-[1-(aminomethyl)cyclohexyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NC1(CN)CCCCC1
InChIInChI=1S/C10H22N2O2S/c1-2-8-15(13,14)12-10(9-11)6-4-3-5-7-10/h12H,2-9,11H2,1H3
InChIKeyKMIHOXSTCUYTME-UHFFFAOYSA-N
XLogP0.98
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
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)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]propane-1-sulfonamide?
The IUPAC name of N-[1-(aminomethyl)cyclohexyl]propane-1-sulfonamide (CID 28940498) is N-[1-(aminomethyl)cyclohexyl]propane-1-sulfonamide.
What is the SMILES notation for N-[1-(aminomethyl)cyclohexyl]propane-1-sulfonamide?
The canonical SMILES for N-[1-(aminomethyl)cyclohexyl]propane-1-sulfonamide is CCCS(=O)(=O)NC1(CN)CCCCC1.
What is the InChIKey of N-[1-(aminomethyl)cyclohexyl]propane-1-sulfonamide?
The InChIKey is KMIHOXSTCUYTME-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O2S/c1-2-8-15(13,14)12-10(9-11)6-4-3-5-7-10/h12H,2-9,11H2,1H3.
What are the key properties of N-[1-(aminomethyl)cyclohexyl]propane-1-sulfonamide?
N-[1-(aminomethyl)cyclohexyl]propane-1-sulfonamide has a molecular weight of 234.36 g/mol, XLogP of 0.98, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)cyclohexyl]propane-1-sulfonamide is sourced from PubChem (CID 28940498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).