1-cyclohexyl-N-methyl-N-pyrrolidin-3-ylmethanesulfonamide;hydrochloride

C12H25ClN2O2S — CID 119978920

IUPAC1-cyclohexyl-N-methyl-N-pyrrolidin-3-ylmethanesulfonamide;hydrochloride
SMILESCN(C1CCNC1)S(=O)(=O)CC1CCCCC1.Cl
InChIInChI=1S/C12H24N2O2S.ClH/c1-14(12-7-8-13-9-12)17(15,16)10-11-5-3-2-4-6-11;/h11-13H,2-10H2,1H3;1H
InChIKeySWUXQJHIIFZAGZ-UHFFFAOYSA-N
MW296.86 g/mol
LogP1.61
Rot. Bonds4

About 1-cyclohexyl-N-methyl-N-pyrrolidin-3-ylmethanesulfonamide;hydrochloride

1-cyclohexyl-N-methyl-N-pyrrolidin-3-ylmethanesulfonamide;hydrochloride (PubChem CID 119978920) has the molecular formula C12H25ClN2O2S and a molecular weight of 296.86 g/mol. Its IUPAC name is 1-cyclohexyl-N-methyl-N-pyrrolidin-3-ylmethanesulfonamide;hydrochloride.

Molecular Properties

Compound Name1-cyclohexyl-N-methyl-N-pyrrolidin-3-ylmethanesulfonamide;hydrochloride
PubChem CID119978920
Molecular FormulaC12H25ClN2O2S
Molecular Weight296.86 g/mol
Exact Mass296.13
IUPAC Name1-cyclohexyl-N-methyl-N-pyrrolidin-3-ylmethanesulfonamide;hydrochloride
SMILESCN(C1CCNC1)S(=O)(=O)CC1CCCCC1.Cl
InChIInChI=1S/C12H24N2O2S.ClH/c1-14(12-7-8-13-9-12)17(15,16)10-11-5-3-2-4-6-11;/h11-13H,2-10H2,1H3;1H
InChIKeySWUXQJHIIFZAGZ-UHFFFAOYSA-N
XLogP1.61
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.86
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopropyl-N-methyl-N-pyrrolidin-3-ylmethanesulfonamide;hydrochloride
CID 119998770
1-cyclopropyl-N-methyl-N-piperidin-4-ylmethanesulfonamide;hydrochloride
CID 119998743
N-[cyclohexyl(methyl)sulfamoyl]-N-methylpyrrolidin-3-amine;hydrochloride
CID 119978613
2-cyclohexyl-N-methyl-N-pyrrolidin-3-ylacetamide;hydrochloride
CID 119260670
N-methyl-N-[(3R)-piperidin-3-yl]methanesulfonamide;hydrochloride
CID 127263584
N-[cyclohexyl(methyl)sulfamoyl]-N-propylpyrrolidin-3-amine;hydrochloride
CID 119976327
1-(2,6-dichlorophenyl)-N-methyl-N-pyrrolidin-3-ylmethanesulfonamide;hydrochloride
CID 119978998
1-cyclohexyl-N-(piperidin-3-ylmethyl)-N-propan-2-ylmethanesulfonamide
CID 106630965
N-methyl-N-piperidin-3-ylmethanesulfonamide
CID 54595457
1-cyclopropyl-N-methyl-N-(piperidin-3-ylmethyl)methanesulfonamide
CID 106630892
N-methyl-N-piperidin-4-ylethanesulfonamide
CID 43606907
N,2-dimethyl-N-pyrrolidin-3-ylpropane-2-sulfonamide
CID 63689710

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-N-methyl-N-pyrrolidin-3-ylmethanesulfonamide;hydrochloride?
The IUPAC name of 1-cyclohexyl-N-methyl-N-pyrrolidin-3-ylmethanesulfonamide;hydrochloride (CID 119978920) is 1-cyclohexyl-N-methyl-N-pyrrolidin-3-ylmethanesulfonamide;hydrochloride.
What is the SMILES notation for 1-cyclohexyl-N-methyl-N-pyrrolidin-3-ylmethanesulfonamide;hydrochloride?
The canonical SMILES for 1-cyclohexyl-N-methyl-N-pyrrolidin-3-ylmethanesulfonamide;hydrochloride is CN(C1CCNC1)S(=O)(=O)CC1CCCCC1.Cl.
What is the InChIKey of 1-cyclohexyl-N-methyl-N-pyrrolidin-3-ylmethanesulfonamide;hydrochloride?
The InChIKey is SWUXQJHIIFZAGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2S.ClH/c1-14(12-7-8-13-9-12)17(15,16)10-11-5-3-2-4-6-11;/h11-13H,2-10H2,1H3;1H.
What are the key properties of 1-cyclohexyl-N-methyl-N-pyrrolidin-3-ylmethanesulfonamide;hydrochloride?
1-cyclohexyl-N-methyl-N-pyrrolidin-3-ylmethanesulfonamide;hydrochloride has a molecular weight of 296.86 g/mol, XLogP of 1.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-N-methyl-N-pyrrolidin-3-ylmethanesulfonamide;hydrochloride is sourced from PubChem (CID 119978920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).