1-[methyl(1-methylsulfanylpropan-2-yl)sulfamoyl]piperidine-3-carboxylic acid

C11H22N2O4S2 — CID 112658011

IUPAC1-[methyl(1-methylsulfanylpropan-2-yl)sulfamoyl]piperidine-3-carboxylic acid
SMILESCSCC(C)N(C)S(=O)(=O)N1CCCC(C(=O)O)C1
InChIInChI=1S/C11H22N2O4S2/c1-9(8-18-3)12(2)19(16,17)13-6-4-5-10(7-13)11(14)15/h9-10H,4-8H2,1-3H3,(H,14,15)
InChIKeyBHXXJVIKLSXHNJ-UHFFFAOYSA-N
MW310.44 g/mol
LogP0.71
Rot. Bonds6

About 1-[methyl(1-methylsulfanylpropan-2-yl)sulfamoyl]piperidine-3-carboxylic acid

1-[methyl(1-methylsulfanylpropan-2-yl)sulfamoyl]piperidine-3-carboxylic acid (PubChem CID 112658011) has the molecular formula C11H22N2O4S2 and a molecular weight of 310.44 g/mol. Its IUPAC name is 1-[methyl(1-methylsulfanylpropan-2-yl)sulfamoyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[methyl(1-methylsulfanylpropan-2-yl)sulfamoyl]piperidine-3-carboxylic acid
PubChem CID112658011
Molecular FormulaC11H22N2O4S2
Molecular Weight310.44 g/mol
Exact Mass310.10
IUPAC Name1-[methyl(1-methylsulfanylpropan-2-yl)sulfamoyl]piperidine-3-carboxylic acid
SMILESCSCC(C)N(C)S(=O)(=O)N1CCCC(C(=O)O)C1
InChIInChI=1S/C11H22N2O4S2/c1-9(8-18-3)12(2)19(16,17)13-6-4-5-10(7-13)11(14)15/h9-10H,4-8H2,1-3H3,(H,14,15)
InChIKeyBHXXJVIKLSXHNJ-UHFFFAOYSA-N
XLogP0.71
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[butan-2-yl(ethyl)sulfamoyl]piperidine-3-carboxylic acid
CID 60857619
1-(dipropylsulfamoyl)piperidine-3-carboxylic acid
CID 43169481
1-[cyclopropyl(ethyl)sulfamoyl]piperidine-3-carboxylic acid
CID 60859891
1-[5-hydroxypentyl(methyl)sulfamoyl]piperidine-3-carboxylic acid
CID 107198691
1-[ethyl(2-ethylbutyl)sulfamoyl]piperidine-3-carboxylic acid
CID 60859412
1-[methyl(1-methylsulfanylbutan-2-yl)sulfamoyl]piperidine-4-carboxylic acid
CID 115985522
1-[cyclopropyl(propyl)sulfamoyl]piperidine-3-carboxylic acid
CID 60857937
1-[methyl(2-pyrrolidin-1-ylethyl)sulfamoyl]piperidine-3-carboxylic acid
CID 63207417
2-(hydroxymethyl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)piperidine-1-sulfonamide
CID 112667005
1-(4-propan-2-ylpiperidin-1-yl)sulfonylpiperidine-3-carboxylic acid
CID 103494329
1-[(2-hydroxycyclohexyl)-methylsulfamoyl]piperidine-3-carboxylic acid
CID 102631724
1-(2-methylsulfanylethylsulfamoyl)piperidine-3-carboxylic acid
CID 60858603

Frequently Asked Questions

What is the IUPAC name of 1-[methyl(1-methylsulfanylpropan-2-yl)sulfamoyl]piperidine-3-carboxylic acid?
The IUPAC name of 1-[methyl(1-methylsulfanylpropan-2-yl)sulfamoyl]piperidine-3-carboxylic acid (CID 112658011) is 1-[methyl(1-methylsulfanylpropan-2-yl)sulfamoyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 1-[methyl(1-methylsulfanylpropan-2-yl)sulfamoyl]piperidine-3-carboxylic acid?
The canonical SMILES for 1-[methyl(1-methylsulfanylpropan-2-yl)sulfamoyl]piperidine-3-carboxylic acid is CSCC(C)N(C)S(=O)(=O)N1CCCC(C(=O)O)C1.
What is the InChIKey of 1-[methyl(1-methylsulfanylpropan-2-yl)sulfamoyl]piperidine-3-carboxylic acid?
The InChIKey is BHXXJVIKLSXHNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O4S2/c1-9(8-18-3)12(2)19(16,17)13-6-4-5-10(7-13)11(14)15/h9-10H,4-8H2,1-3H3,(H,14,15).
What are the key properties of 1-[methyl(1-methylsulfanylpropan-2-yl)sulfamoyl]piperidine-3-carboxylic acid?
1-[methyl(1-methylsulfanylpropan-2-yl)sulfamoyl]piperidine-3-carboxylic acid has a molecular weight of 310.44 g/mol, XLogP of 0.71, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[methyl(1-methylsulfanylpropan-2-yl)sulfamoyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 112658011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).