N-cyclohexyl-N-methyl-3-(methylaminomethyl)pyrrolidine-1-sulfonamide

C13H27N3O2S — CID 63263786

IUPACN-cyclohexyl-N-methyl-3-(methylaminomethyl)pyrrolidine-1-sulfonamide
SMILESCNCC1CCN(S(=O)(=O)N(C)C2CCCCC2)C1
InChIInChI=1S/C13H27N3O2S/c1-14-10-12-8-9-16(11-12)19(17,18)15(2)13-6-4-3-5-7-13/h12-14H,3-11H2,1-2H3
InChIKeyHKHNLEAFOLWFEY-UHFFFAOYSA-N
MW289.44 g/mol
LogP1.04
Rot. Bonds5

About N-cyclohexyl-N-methyl-3-(methylaminomethyl)pyrrolidine-1-sulfonamide

N-cyclohexyl-N-methyl-3-(methylaminomethyl)pyrrolidine-1-sulfonamide (PubChem CID 63263786) has the molecular formula C13H27N3O2S and a molecular weight of 289.44 g/mol. Its IUPAC name is N-cyclohexyl-N-methyl-3-(methylaminomethyl)pyrrolidine-1-sulfonamide.

Molecular Properties

Compound NameN-cyclohexyl-N-methyl-3-(methylaminomethyl)pyrrolidine-1-sulfonamide
PubChem CID63263786
Molecular FormulaC13H27N3O2S
Molecular Weight289.44 g/mol
Exact Mass289.18
IUPAC NameN-cyclohexyl-N-methyl-3-(methylaminomethyl)pyrrolidine-1-sulfonamide
SMILESCNCC1CCN(S(=O)(=O)N(C)C2CCCCC2)C1
InChIInChI=1S/C13H27N3O2S/c1-14-10-12-8-9-16(11-12)19(17,18)15(2)13-6-4-3-5-7-13/h12-14H,3-11H2,1-2H3
InChIKeyHKHNLEAFOLWFEY-UHFFFAOYSA-N
XLogP1.04
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.44
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(aminomethyl)-N-cyclohexyl-N-methylpyrrolidine-1-sulfonamide;hydrochloride
CID 119971798
N-ethyl-N-methyl-3-(methylaminomethyl)pyrrolidine-1-sulfonamide
CID 119977585
N-ethyl-N-methyl-3-(methylaminomethyl)pyrrolidine-1-sulfonamide;hydrochloride
CID 119977584
2-[1-[cyclohexyl(methyl)sulfamoyl]piperidin-3-yl]acetic acid
CID 62690776
N-cyclohexyl-4-hydroxy-N,3-dimethylpiperidine-1-sulfonamide
CID 114680633
N-methyl-1-(1-pyrrolidin-1-ylsulfonylpyrrolidin-3-yl)methanamine;hydrochloride
CID 119977537
1-[cyclohexyl(methyl)sulfamoyl]pyrrolidine-3-carboxylic acid
CID 63030973
N-(cyclopropylmethyl)-N-methyl-3-(methylaminomethyl)piperidine-1-sulfonamide;hydrochloride
CID 119960920
1-[1-(3,5-dichlorophenyl)sulfonylpyrrolidin-3-yl]-N-methylmethanamine
CID 63264275
1-(1-cyclopentylsulfonylpiperidin-3-yl)-N-methylmethanamine
CID 115752117
N-methyl-1-[1-(trifluoromethylsulfonyl)pyrrolidin-3-yl]methanamine
CID 63263924
1-[1-(3,5-dichlorophenyl)sulfonylpyrrolidin-3-yl]-N-methylmethanamine;hydrochloride
CID 119977516

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-methyl-3-(methylaminomethyl)pyrrolidine-1-sulfonamide?
The IUPAC name of N-cyclohexyl-N-methyl-3-(methylaminomethyl)pyrrolidine-1-sulfonamide (CID 63263786) is N-cyclohexyl-N-methyl-3-(methylaminomethyl)pyrrolidine-1-sulfonamide.
What is the SMILES notation for N-cyclohexyl-N-methyl-3-(methylaminomethyl)pyrrolidine-1-sulfonamide?
The canonical SMILES for N-cyclohexyl-N-methyl-3-(methylaminomethyl)pyrrolidine-1-sulfonamide is CNCC1CCN(S(=O)(=O)N(C)C2CCCCC2)C1.
What is the InChIKey of N-cyclohexyl-N-methyl-3-(methylaminomethyl)pyrrolidine-1-sulfonamide?
The InChIKey is HKHNLEAFOLWFEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O2S/c1-14-10-12-8-9-16(11-12)19(17,18)15(2)13-6-4-3-5-7-13/h12-14H,3-11H2,1-2H3.
What are the key properties of N-cyclohexyl-N-methyl-3-(methylaminomethyl)pyrrolidine-1-sulfonamide?
N-cyclohexyl-N-methyl-3-(methylaminomethyl)pyrrolidine-1-sulfonamide has a molecular weight of 289.44 g/mol, XLogP of 1.04, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-methyl-3-(methylaminomethyl)pyrrolidine-1-sulfonamide is sourced from PubChem (CID 63263786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).