1-[(3-methyl-2-propan-2-ylbutyl)sulfamoyl]piperidine-3-carboxylic acid

C14H28N2O4S — CID 102903673

IUPAC1-[(3-methyl-2-propan-2-ylbutyl)sulfamoyl]piperidine-3-carboxylic acid
SMILESCC(C)C(CNS(=O)(=O)N1CCCC(C(=O)O)C1)C(C)C
InChIInChI=1S/C14H28N2O4S/c1-10(2)13(11(3)4)8-15-21(19,20)16-7-5-6-12(9-16)14(17)18/h10-13,15H,5-9H2,1-4H3,(H,17,18)
InChIKeyQJJQPVSMLWWBSD-UHFFFAOYSA-N
MW320.46 g/mol
LogP1.55
Rot. Bonds7

About 1-[(3-methyl-2-propan-2-ylbutyl)sulfamoyl]piperidine-3-carboxylic acid

1-[(3-methyl-2-propan-2-ylbutyl)sulfamoyl]piperidine-3-carboxylic acid (PubChem CID 102903673) has the molecular formula C14H28N2O4S and a molecular weight of 320.46 g/mol. Its IUPAC name is 1-[(3-methyl-2-propan-2-ylbutyl)sulfamoyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[(3-methyl-2-propan-2-ylbutyl)sulfamoyl]piperidine-3-carboxylic acid
PubChem CID102903673
Molecular FormulaC14H28N2O4S
Molecular Weight320.46 g/mol
Exact Mass320.18
IUPAC Name1-[(3-methyl-2-propan-2-ylbutyl)sulfamoyl]piperidine-3-carboxylic acid
SMILESCC(C)C(CNS(=O)(=O)N1CCCC(C(=O)O)C1)C(C)C
InChIInChI=1S/C14H28N2O4S/c1-10(2)13(11(3)4)8-15-21(19,20)16-7-5-6-12(9-16)14(17)18/h10-13,15H,5-9H2,1-4H3,(H,17,18)
InChIKeyQJJQPVSMLWWBSD-UHFFFAOYSA-N
XLogP1.55
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.46
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,3,3-trimethylbutylsulfamoyl)piperidine-3-carboxylic acid
CID 83143229
1-(2-methylbutylsulfamoyl)piperidine-3-carboxylic acid
CID 62693713
1-[(4-hydroxy-2-methylbutyl)sulfamoyl]piperidine-3-carboxylic acid
CID 66091534
1-(4-methylpentylsulfamoyl)piperidine-3-carboxylic acid
CID 54914300
N-(3-methyl-2-propan-2-ylbutyl)pyrrolidine-1-sulfonamide
CID 102912990
1-(2-propan-2-yloxyethylsulfamoyl)piperidine-3-carboxylic acid
CID 104759129
1-[[(2S)-1-hydroxy-3-methylbutan-2-yl]sulfamoyl]piperidine-3-carboxylic acid
CID 79254422
(3S)-1-(2-methoxyethylsulfamoyl)piperidine-3-carboxylic acid
CID 104978646
1-[3-(methanesulfonamido)propylsulfamoyl]piperidine-3-carboxylic acid
CID 106334906
1-(3,3-dimethylbutylsulfamoyl)piperidine-3-carboxylic acid
CID 113227859
1-(1-pyrrolidin-1-ylpropan-2-ylsulfamoyl)piperidine-3-carboxylic acid
CID 61473233
1-(2-methylsulfanylethylsulfamoyl)piperidine-3-carboxylic acid
CID 60858603

Frequently Asked Questions

What is the IUPAC name of 1-[(3-methyl-2-propan-2-ylbutyl)sulfamoyl]piperidine-3-carboxylic acid?
The IUPAC name of 1-[(3-methyl-2-propan-2-ylbutyl)sulfamoyl]piperidine-3-carboxylic acid (CID 102903673) is 1-[(3-methyl-2-propan-2-ylbutyl)sulfamoyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 1-[(3-methyl-2-propan-2-ylbutyl)sulfamoyl]piperidine-3-carboxylic acid?
The canonical SMILES for 1-[(3-methyl-2-propan-2-ylbutyl)sulfamoyl]piperidine-3-carboxylic acid is CC(C)C(CNS(=O)(=O)N1CCCC(C(=O)O)C1)C(C)C.
What is the InChIKey of 1-[(3-methyl-2-propan-2-ylbutyl)sulfamoyl]piperidine-3-carboxylic acid?
The InChIKey is QJJQPVSMLWWBSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O4S/c1-10(2)13(11(3)4)8-15-21(19,20)16-7-5-6-12(9-16)14(17)18/h10-13,15H,5-9H2,1-4H3,(H,17,18).
What are the key properties of 1-[(3-methyl-2-propan-2-ylbutyl)sulfamoyl]piperidine-3-carboxylic acid?
1-[(3-methyl-2-propan-2-ylbutyl)sulfamoyl]piperidine-3-carboxylic acid has a molecular weight of 320.46 g/mol, XLogP of 1.55, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methyl-2-propan-2-ylbutyl)sulfamoyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 102903673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).