1-[3-(dimethylsulfamoyl)propyl]-4-methylpiperidine-4-carboxamide

C12H25N3O3S — CID 131893059

IUPAC1-[3-(dimethylsulfamoyl)propyl]-4-methylpiperidine-4-carboxamide
SMILESCN(C)S(=O)(=O)CCCN1CCC(C)(C(N)=O)CC1
InChIInChI=1S/C12H25N3O3S/c1-12(11(13)16)5-8-15(9-6-12)7-4-10-19(17,18)14(2)3/h4-10H2,1-3H3,(H2,13,16)
InChIKeyFJOGILRGCKYOOO-UHFFFAOYSA-N
MW291.42 g/mol
LogP-0.14
Rot. Bonds6

About 1-[3-(dimethylsulfamoyl)propyl]-4-methylpiperidine-4-carboxamide

1-[3-(dimethylsulfamoyl)propyl]-4-methylpiperidine-4-carboxamide (PubChem CID 131893059) has the molecular formula C12H25N3O3S and a molecular weight of 291.42 g/mol. Its IUPAC name is 1-[3-(dimethylsulfamoyl)propyl]-4-methylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[3-(dimethylsulfamoyl)propyl]-4-methylpiperidine-4-carboxamide
PubChem CID131893059
Molecular FormulaC12H25N3O3S
Molecular Weight291.42 g/mol
Exact Mass291.16
IUPAC Name1-[3-(dimethylsulfamoyl)propyl]-4-methylpiperidine-4-carboxamide
SMILESCN(C)S(=O)(=O)CCCN1CCC(C)(C(N)=O)CC1
InChIInChI=1S/C12H25N3O3S/c1-12(11(13)16)5-8-15(9-6-12)7-4-10-19(17,18)14(2)3/h4-10H2,1-3H3,(H2,13,16)
InChIKeyFJOGILRGCKYOOO-UHFFFAOYSA-N
XLogP-0.14
TPSA83.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.42
LogP ≤ 5-0.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-ethylsulfonylpropyl)-N'-hydroxy-4-methylpiperidine-4-carboximidamide
CID 107161897
3-[(2R)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-N,N-dimethylpropane-1-sulfonamide
CID 95722046
1-[3-[methyl-(1-methylpiperidin-4-yl)sulfamoyl]propyl]piperidine-4-carboxamide
CID 69358248
1-butyl-4-methylpiperidine-4-carboxylic acid
CID 63124911
1-heptyl-4-methylpiperidine-4-carboxylic acid
CID 55176415
4-methyl-1-(methylsulfamoyl)piperidine-4-carboxamide
CID 163619342
1-(3-hydroxypropyl)-4-methylpiperidine-4-carbothioamide
CID 107161621
methyl 4-(4-carbamothioyl-4-methylpiperidin-1-yl)butanoate
CID 107161638
1-decyl-N'-hydroxy-4-methylpiperidine-4-carboximidamide
CID 107161754
1-heptyl-N'-hydroxy-4-methylpiperidine-4-carboximidamide
CID 107161726
3-(4,4-diethylpiperidin-1-yl)propane-1-sulfonamide
CID 112594762
2-[[1-[3-(dimethylsulfamoyl)propyl]pyrrolidin-3-yl]methyl]benzoic acid
CID 169410782

Frequently Asked Questions

What is the IUPAC name of 1-[3-(dimethylsulfamoyl)propyl]-4-methylpiperidine-4-carboxamide?
The IUPAC name of 1-[3-(dimethylsulfamoyl)propyl]-4-methylpiperidine-4-carboxamide (CID 131893059) is 1-[3-(dimethylsulfamoyl)propyl]-4-methylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[3-(dimethylsulfamoyl)propyl]-4-methylpiperidine-4-carboxamide?
The canonical SMILES for 1-[3-(dimethylsulfamoyl)propyl]-4-methylpiperidine-4-carboxamide is CN(C)S(=O)(=O)CCCN1CCC(C)(C(N)=O)CC1.
What is the InChIKey of 1-[3-(dimethylsulfamoyl)propyl]-4-methylpiperidine-4-carboxamide?
The InChIKey is FJOGILRGCKYOOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O3S/c1-12(11(13)16)5-8-15(9-6-12)7-4-10-19(17,18)14(2)3/h4-10H2,1-3H3,(H2,13,16).
What are the key properties of 1-[3-(dimethylsulfamoyl)propyl]-4-methylpiperidine-4-carboxamide?
1-[3-(dimethylsulfamoyl)propyl]-4-methylpiperidine-4-carboxamide has a molecular weight of 291.42 g/mol, XLogP of -0.14, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(dimethylsulfamoyl)propyl]-4-methylpiperidine-4-carboxamide is sourced from PubChem (CID 131893059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).