1-[butan-2-yl(ethyl)sulfamoyl]piperidine-3-carboxylic acid

C12H24N2O4S — CID 60857619

IUPAC1-[butan-2-yl(ethyl)sulfamoyl]piperidine-3-carboxylic acid
SMILESCCC(C)N(CC)S(=O)(=O)N1CCCC(C(=O)O)C1
InChIInChI=1S/C12H24N2O4S/c1-4-10(3)14(5-2)19(17,18)13-8-6-7-11(9-13)12(15)16/h10-11H,4-9H2,1-3H3,(H,15,16)
InChIKeyKIGRTAGWGSRPLQ-UHFFFAOYSA-N
MW292.40 g/mol
LogP1.15
Rot. Bonds6

About 1-[butan-2-yl(ethyl)sulfamoyl]piperidine-3-carboxylic acid

1-[butan-2-yl(ethyl)sulfamoyl]piperidine-3-carboxylic acid (PubChem CID 60857619) has the molecular formula C12H24N2O4S and a molecular weight of 292.40 g/mol. Its IUPAC name is 1-[butan-2-yl(ethyl)sulfamoyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[butan-2-yl(ethyl)sulfamoyl]piperidine-3-carboxylic acid
PubChem CID60857619
Molecular FormulaC12H24N2O4S
Molecular Weight292.40 g/mol
Exact Mass292.15
IUPAC Name1-[butan-2-yl(ethyl)sulfamoyl]piperidine-3-carboxylic acid
SMILESCCC(C)N(CC)S(=O)(=O)N1CCCC(C(=O)O)C1
InChIInChI=1S/C12H24N2O4S/c1-4-10(3)14(5-2)19(17,18)13-8-6-7-11(9-13)12(15)16/h10-11H,4-9H2,1-3H3,(H,15,16)
InChIKeyKIGRTAGWGSRPLQ-UHFFFAOYSA-N
XLogP1.15
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[ethyl(2-ethylbutyl)sulfamoyl]piperidine-3-carboxylic acid
CID 60859412
1-[methyl(1-methylsulfanylpropan-2-yl)sulfamoyl]piperidine-3-carboxylic acid
CID 112658011
1-[cyclopropyl(ethyl)sulfamoyl]piperidine-3-carboxylic acid
CID 60859891
1-(dipropylsulfamoyl)piperidine-3-carboxylic acid
CID 43169481
1-[cyclopropyl(propyl)sulfamoyl]piperidine-3-carboxylic acid
CID 60857937
1-(2-methylbutylsulfamoyl)piperidine-3-carboxylic acid
CID 62693713
1-(4-propan-2-ylpiperidin-1-yl)sulfonylpiperidine-3-carboxylic acid
CID 103494329
1-[butan-2-yl(butyl)sulfamoyl]piperidine-4-carboxylic acid
CID 60950199
1-[methyl(2-pyrrolidin-1-ylethyl)sulfamoyl]piperidine-3-carboxylic acid
CID 63207417
3-[ethyl-(1-methylsulfonylpiperidine-3-carbonyl)amino]-2-methylpropanoic acid
CID 62827234
(3R)-1-pyrrolidin-1-ylsulfonylpiperidine-3-carboxylic acid
CID 28784068
(3S)-1-(dimethylsulfamoyl)-N,N-diethylpiperidine-3-carboxamide
CID 92685694

Frequently Asked Questions

What is the IUPAC name of 1-[butan-2-yl(ethyl)sulfamoyl]piperidine-3-carboxylic acid?
The IUPAC name of 1-[butan-2-yl(ethyl)sulfamoyl]piperidine-3-carboxylic acid (CID 60857619) is 1-[butan-2-yl(ethyl)sulfamoyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 1-[butan-2-yl(ethyl)sulfamoyl]piperidine-3-carboxylic acid?
The canonical SMILES for 1-[butan-2-yl(ethyl)sulfamoyl]piperidine-3-carboxylic acid is CCC(C)N(CC)S(=O)(=O)N1CCCC(C(=O)O)C1.
What is the InChIKey of 1-[butan-2-yl(ethyl)sulfamoyl]piperidine-3-carboxylic acid?
The InChIKey is KIGRTAGWGSRPLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O4S/c1-4-10(3)14(5-2)19(17,18)13-8-6-7-11(9-13)12(15)16/h10-11H,4-9H2,1-3H3,(H,15,16).
What are the key properties of 1-[butan-2-yl(ethyl)sulfamoyl]piperidine-3-carboxylic acid?
1-[butan-2-yl(ethyl)sulfamoyl]piperidine-3-carboxylic acid has a molecular weight of 292.40 g/mol, XLogP of 1.15, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[butan-2-yl(ethyl)sulfamoyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 60857619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).