N-[4-(aminomethyl)cyclohexyl]propane-1-sulfonamide

C10H22N2O2S — CID 68898541

IUPACN-[4-(aminomethyl)cyclohexyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NC1CCC(CN)CC1
InChIInChI=1S/C10H22N2O2S/c1-2-7-15(13,14)12-10-5-3-9(8-11)4-6-10/h9-10,12H,2-8,11H2,1H3
InChIKeyMZYTXWURARRYFL-UHFFFAOYSA-N
MW234.36 g/mol
LogP0.83
Rot. Bonds5

About N-[4-(aminomethyl)cyclohexyl]propane-1-sulfonamide

N-[4-(aminomethyl)cyclohexyl]propane-1-sulfonamide (PubChem CID 68898541) has the molecular formula C10H22N2O2S and a molecular weight of 234.36 g/mol. Its IUPAC name is N-[4-(aminomethyl)cyclohexyl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[4-(aminomethyl)cyclohexyl]propane-1-sulfonamide
PubChem CID68898541
Molecular FormulaC10H22N2O2S
Molecular Weight234.36 g/mol
Exact Mass234.14
IUPAC NameN-[4-(aminomethyl)cyclohexyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NC1CCC(CN)CC1
InChIInChI=1S/C10H22N2O2S/c1-2-7-15(13,14)12-10-5-3-9(8-11)4-6-10/h9-10,12H,2-8,11H2,1H3
InChIKeyMZYTXWURARRYFL-UHFFFAOYSA-N
XLogP0.83
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 ≤ 50.83
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-(aminomethyl)cyclohexyl]propane-1-sulfonamide?
The IUPAC name of N-[4-(aminomethyl)cyclohexyl]propane-1-sulfonamide (CID 68898541) is N-[4-(aminomethyl)cyclohexyl]propane-1-sulfonamide.
What is the SMILES notation for N-[4-(aminomethyl)cyclohexyl]propane-1-sulfonamide?
The canonical SMILES for N-[4-(aminomethyl)cyclohexyl]propane-1-sulfonamide is CCCS(=O)(=O)NC1CCC(CN)CC1.
What is the InChIKey of N-[4-(aminomethyl)cyclohexyl]propane-1-sulfonamide?
The InChIKey is MZYTXWURARRYFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O2S/c1-2-7-15(13,14)12-10-5-3-9(8-11)4-6-10/h9-10,12H,2-8,11H2,1H3.
What are the key properties of N-[4-(aminomethyl)cyclohexyl]propane-1-sulfonamide?
N-[4-(aminomethyl)cyclohexyl]propane-1-sulfonamide has a molecular weight of 234.36 g/mol, XLogP of 0.83, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(aminomethyl)cyclohexyl]propane-1-sulfonamide is sourced from PubChem (CID 68898541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).