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

C11H20N2O4S2 — CID 60858102

IUPAC1-[methyl(thiolan-3-yl)sulfamoyl]piperidine-3-carboxylic acid
SMILESCN(C1CCSC1)S(=O)(=O)N1CCCC(C(=O)O)C1
InChIInChI=1S/C11H20N2O4S2/c1-12(10-4-6-18-8-10)19(16,17)13-5-2-3-9(7-13)11(14)15/h9-10H,2-8H2,1H3,(H,14,15)
InChIKeyZCIBHNZPXAVCDF-UHFFFAOYSA-N
MW308.43 g/mol
LogP0.47
Rot. Bonds4

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

1-[methyl(thiolan-3-yl)sulfamoyl]piperidine-3-carboxylic acid (PubChem CID 60858102) has the molecular formula C11H20N2O4S2 and a molecular weight of 308.43 g/mol. Its IUPAC name is 1-[methyl(thiolan-3-yl)sulfamoyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[methyl(thiolan-3-yl)sulfamoyl]piperidine-3-carboxylic acid
PubChem CID60858102
Molecular FormulaC11H20N2O4S2
Molecular Weight308.43 g/mol
Exact Mass308.09
IUPAC Name1-[methyl(thiolan-3-yl)sulfamoyl]piperidine-3-carboxylic acid
SMILESCN(C1CCSC1)S(=O)(=O)N1CCCC(C(=O)O)C1
InChIInChI=1S/C11H20N2O4S2/c1-12(10-4-6-18-8-10)19(16,17)13-5-2-3-9(7-13)11(14)15/h9-10H,2-8H2,1H3,(H,14,15)
InChIKeyZCIBHNZPXAVCDF-UHFFFAOYSA-N
XLogP0.47
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[cyclohexyl(methyl)sulfamoyl]pyrrolidine-3-carboxylic acid
CID 63030973
1-[(2-hydroxycyclohexyl)-methylsulfamoyl]piperidine-3-carboxylic acid
CID 102631724
N-methyl-N-(thiolan-3-yl)-1,4-diazepane-1-sulfonamide
CID 43296839
1-(thian-4-ylsulfonyl)piperidine-3-carboxylic acid
CID 172500690
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-[methyl(2-pyrrolidin-1-ylethyl)sulfamoyl]piperidine-3-carboxylic acid
CID 63207417
1-(dimethylaminosulfamoyl)piperidine-3-carboxylic acid
CID 83003975
(3R)-1-pyrrolidin-1-ylsulfonylpiperidine-3-carboxylic acid
CID 28784068
1-(1,4-thiazepan-4-ylsulfonyl)piperidine-3-carboxylic acid
CID 61419208
1-[cyclopropyl(2-hydroxyethyl)sulfamoyl]piperidine-3-carboxylic acid
CID 60858615

Frequently Asked Questions

What is the IUPAC name of 1-[methyl(thiolan-3-yl)sulfamoyl]piperidine-3-carboxylic acid?
The IUPAC name of 1-[methyl(thiolan-3-yl)sulfamoyl]piperidine-3-carboxylic acid (CID 60858102) is 1-[methyl(thiolan-3-yl)sulfamoyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 1-[methyl(thiolan-3-yl)sulfamoyl]piperidine-3-carboxylic acid?
The canonical SMILES for 1-[methyl(thiolan-3-yl)sulfamoyl]piperidine-3-carboxylic acid is CN(C1CCSC1)S(=O)(=O)N1CCCC(C(=O)O)C1.
What is the InChIKey of 1-[methyl(thiolan-3-yl)sulfamoyl]piperidine-3-carboxylic acid?
The InChIKey is ZCIBHNZPXAVCDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O4S2/c1-12(10-4-6-18-8-10)19(16,17)13-5-2-3-9(7-13)11(14)15/h9-10H,2-8H2,1H3,(H,14,15).
What are the key properties of 1-[methyl(thiolan-3-yl)sulfamoyl]piperidine-3-carboxylic acid?
1-[methyl(thiolan-3-yl)sulfamoyl]piperidine-3-carboxylic acid has a molecular weight of 308.43 g/mol, XLogP of 0.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[methyl(thiolan-3-yl)sulfamoyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 60858102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).