1-[butyl(methyl)sulfamoyl]-N-ethylpiperidine-4-carboxamide

C13H27N3O3S — CID 86931198

IUPAC1-[butyl(methyl)sulfamoyl]-N-ethylpiperidine-4-carboxamide
SMILESCCCCN(C)S(=O)(=O)N1CCC(C(=O)NCC)CC1
InChIInChI=1S/C13H27N3O3S/c1-4-6-9-15(3)20(18,19)16-10-7-12(8-11-16)13(17)14-5-2/h12H,4-11H2,1-3H3,(H,14,17)
InChIKeyFKUMZCYSUDRGRW-UHFFFAOYSA-N
MW305.44 g/mol
LogP0.81
Rot. Bonds7

About 1-[butyl(methyl)sulfamoyl]-N-ethylpiperidine-4-carboxamide

1-[butyl(methyl)sulfamoyl]-N-ethylpiperidine-4-carboxamide (PubChem CID 86931198) has the molecular formula C13H27N3O3S and a molecular weight of 305.44 g/mol. Its IUPAC name is 1-[butyl(methyl)sulfamoyl]-N-ethylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[butyl(methyl)sulfamoyl]-N-ethylpiperidine-4-carboxamide
PubChem CID86931198
Molecular FormulaC13H27N3O3S
Molecular Weight305.44 g/mol
Exact Mass305.18
IUPAC Name1-[butyl(methyl)sulfamoyl]-N-ethylpiperidine-4-carboxamide
SMILESCCCCN(C)S(=O)(=O)N1CCC(C(=O)NCC)CC1
InChIInChI=1S/C13H27N3O3S/c1-4-6-9-15(3)20(18,19)16-10-7-12(8-11-16)13(17)14-5-2/h12H,4-11H2,1-3H3,(H,14,17)
InChIKeyFKUMZCYSUDRGRW-UHFFFAOYSA-N
XLogP0.81
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.44
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(dibutylsulfamoyl)piperidine-4-carboxylic acid
CID 60857771
3-[(3-carbamoylpyrrolidin-1-yl)sulfonyl-methylamino]propanoic acid
CID 114081825
N-ethyl-1-propan-2-ylsulfonylpiperidine-4-carboxamide
CID 61356516
2-[4-[butyl(methyl)sulfamoyl]piperazin-1-yl]acetic acid
CID 43521616
(3S)-3-amino-N-butyl-N-methylpyrrolidine-1-sulfonamide
CID 115302268
1-[5-hydroxypentyl(methyl)sulfamoyl]piperidine-4-carboxylic acid
CID 107198638
1-(dimethylsulfamoyl)-N-(3-methylbutan-2-yl)piperidine-4-carboxamide
CID 131955942
1-ethylsulfonyl-N-heptylpiperidine-4-carboxamide
CID 174300935
(2R)-1-[butyl(methyl)sulfamoyl]pyrrolidine-2-carboxylic acid
CID 78923008
3-[4-(ethylcarbamoyl)piperidin-1-yl]sulfonylpropanoic acid
CID 60950734
N-butyl-1-piperidin-1-ylsulfonylpiperidine-4-carboxamide
CID 3283449
3-[[4-(1-hydroxyethyl)piperidin-1-yl]sulfonyl-methylamino]propanoic acid
CID 106835695

Frequently Asked Questions

What is the IUPAC name of 1-[butyl(methyl)sulfamoyl]-N-ethylpiperidine-4-carboxamide?
The IUPAC name of 1-[butyl(methyl)sulfamoyl]-N-ethylpiperidine-4-carboxamide (CID 86931198) is 1-[butyl(methyl)sulfamoyl]-N-ethylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[butyl(methyl)sulfamoyl]-N-ethylpiperidine-4-carboxamide?
The canonical SMILES for 1-[butyl(methyl)sulfamoyl]-N-ethylpiperidine-4-carboxamide is CCCCN(C)S(=O)(=O)N1CCC(C(=O)NCC)CC1.
What is the InChIKey of 1-[butyl(methyl)sulfamoyl]-N-ethylpiperidine-4-carboxamide?
The InChIKey is FKUMZCYSUDRGRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O3S/c1-4-6-9-15(3)20(18,19)16-10-7-12(8-11-16)13(17)14-5-2/h12H,4-11H2,1-3H3,(H,14,17).
What are the key properties of 1-[butyl(methyl)sulfamoyl]-N-ethylpiperidine-4-carboxamide?
1-[butyl(methyl)sulfamoyl]-N-ethylpiperidine-4-carboxamide has a molecular weight of 305.44 g/mol, XLogP of 0.81, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[butyl(methyl)sulfamoyl]-N-ethylpiperidine-4-carboxamide is sourced from PubChem (CID 86931198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).