3-(aminomethyl)-N-cyclohexyl-N-methylpyrrolidine-1-sulfonamide;hydrochloride

C12H26ClN3O2S — CID 119971798

IUPAC3-(aminomethyl)-N-cyclohexyl-N-methylpyrrolidine-1-sulfonamide;hydrochloride
SMILESCN(C1CCCCC1)S(=O)(=O)N1CCC(CN)C1.Cl
InChIInChI=1S/C12H25N3O2S.ClH/c1-14(12-5-3-2-4-6-12)18(16,17)15-8-7-11(9-13)10-15;/h11-12H,2-10,13H2,1H3;1H
InChIKeyKHPZBUWJPQUUBY-UHFFFAOYSA-N
MW311.88 g/mol
LogP1.20
Rot. Bonds4

About 3-(aminomethyl)-N-cyclohexyl-N-methylpyrrolidine-1-sulfonamide;hydrochloride

3-(aminomethyl)-N-cyclohexyl-N-methylpyrrolidine-1-sulfonamide;hydrochloride (PubChem CID 119971798) has the molecular formula C12H26ClN3O2S and a molecular weight of 311.88 g/mol. Its IUPAC name is 3-(aminomethyl)-N-cyclohexyl-N-methylpyrrolidine-1-sulfonamide;hydrochloride.

Molecular Properties

Compound Name3-(aminomethyl)-N-cyclohexyl-N-methylpyrrolidine-1-sulfonamide;hydrochloride
PubChem CID119971798
Molecular FormulaC12H26ClN3O2S
Molecular Weight311.88 g/mol
Exact Mass311.14
IUPAC Name3-(aminomethyl)-N-cyclohexyl-N-methylpyrrolidine-1-sulfonamide;hydrochloride
SMILESCN(C1CCCCC1)S(=O)(=O)N1CCC(CN)C1.Cl
InChIInChI=1S/C12H25N3O2S.ClH/c1-14(12-5-3-2-4-6-12)18(16,17)15-8-7-11(9-13)10-15;/h11-12H,2-10,13H2,1H3;1H
InChIKeyKHPZBUWJPQUUBY-UHFFFAOYSA-N
XLogP1.20
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.88
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclohexyl-N-methyl-3-(methylaminomethyl)pyrrolidine-1-sulfonamide
CID 63263786
N-cyclohexyl-4-hydroxy-N,3-dimethylpiperidine-1-sulfonamide
CID 114680633
2-[1-[cyclohexyl(methyl)sulfamoyl]piperidin-3-yl]acetic acid
CID 62690776
1-[cyclohexyl(methyl)sulfamoyl]pyrrolidine-3-carboxylic acid
CID 63030973
2-(aminomethyl)-N-cyclohexyl-N-methylpiperidine-1-sulfonamide;hydrochloride
CID 119969104
3-(aminomethyl)-N-methyl-N-(2-methyloxolan-3-yl)piperidine-1-sulfonamide
CID 82744611
3-(aminomethyl)pyrrolidine-1-sulfonamide
CID 114959335
3-(aminomethyl)-N,N-bis(2-methoxyethyl)pyrrolidine-1-sulfonamide;hydrochloride
CID 119972257
[1-(2-methylpiperidin-1-yl)sulfonylpyrrolidin-3-yl]methanamine;hydrochloride
CID 119972063
[1-(4-cyclohexylphenyl)sulfonylpyrrolidin-3-yl]methanamine;hydrochloride
CID 119971791
4-(aminomethyl)-N-ethyl-N-methylpiperidine-1-sulfonamide;hydrochloride
CID 119963738
2-(1-aminoethyl)-N-cyclohexyl-N-methylmorpholine-4-sulfonamide
CID 115315403

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-cyclohexyl-N-methylpyrrolidine-1-sulfonamide;hydrochloride?
The IUPAC name of 3-(aminomethyl)-N-cyclohexyl-N-methylpyrrolidine-1-sulfonamide;hydrochloride (CID 119971798) is 3-(aminomethyl)-N-cyclohexyl-N-methylpyrrolidine-1-sulfonamide;hydrochloride.
What is the SMILES notation for 3-(aminomethyl)-N-cyclohexyl-N-methylpyrrolidine-1-sulfonamide;hydrochloride?
The canonical SMILES for 3-(aminomethyl)-N-cyclohexyl-N-methylpyrrolidine-1-sulfonamide;hydrochloride is CN(C1CCCCC1)S(=O)(=O)N1CCC(CN)C1.Cl.
What is the InChIKey of 3-(aminomethyl)-N-cyclohexyl-N-methylpyrrolidine-1-sulfonamide;hydrochloride?
The InChIKey is KHPZBUWJPQUUBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O2S.ClH/c1-14(12-5-3-2-4-6-12)18(16,17)15-8-7-11(9-13)10-15;/h11-12H,2-10,13H2,1H3;1H.
What are the key properties of 3-(aminomethyl)-N-cyclohexyl-N-methylpyrrolidine-1-sulfonamide;hydrochloride?
3-(aminomethyl)-N-cyclohexyl-N-methylpyrrolidine-1-sulfonamide;hydrochloride has a molecular weight of 311.88 g/mol, XLogP of 1.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-cyclohexyl-N-methylpyrrolidine-1-sulfonamide;hydrochloride is sourced from PubChem (CID 119971798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).