1-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]sulfamoyl]piperidine-4-carboxylic acid

C12H19N3O4S2 — CID 60951603

IUPAC1-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]sulfamoyl]piperidine-4-carboxylic acid
SMILESCc1ncc(CN(C)S(=O)(=O)N2CCC(C(=O)O)CC2)s1
InChIInChI=1S/C12H19N3O4S2/c1-9-13-7-11(20-9)8-14(2)21(18,19)15-5-3-10(4-6-15)12(16)17/h7,10H,3-6,8H2,1-2H3,(H,16,17)
InChIKeyXENKARNDUIZJJT-UHFFFAOYSA-N
MW333.44 g/mol
LogP0.92
Rot. Bonds5

About 1-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]sulfamoyl]piperidine-4-carboxylic acid

1-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]sulfamoyl]piperidine-4-carboxylic acid (PubChem CID 60951603) has the molecular formula C12H19N3O4S2 and a molecular weight of 333.44 g/mol. Its IUPAC name is 1-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]sulfamoyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]sulfamoyl]piperidine-4-carboxylic acid
PubChem CID60951603
Molecular FormulaC12H19N3O4S2
Molecular Weight333.44 g/mol
Exact Mass333.08
IUPAC Name1-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]sulfamoyl]piperidine-4-carboxylic acid
SMILESCc1ncc(CN(C)S(=O)(=O)N2CCC(C(=O)O)CC2)s1
InChIInChI=1S/C12H19N3O4S2/c1-9-13-7-11(20-9)8-14(2)21(18,19)15-5-3-10(4-6-15)12(16)17/h7,10H,3-6,8H2,1-2H3,(H,16,17)
InChIKeyXENKARNDUIZJJT-UHFFFAOYSA-N
XLogP0.92
TPSA90.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]sulfamoyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]sulfamoyl]piperidine-4-carboxylic acid (CID 60951603) is 1-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]sulfamoyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]sulfamoyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]sulfamoyl]piperidine-4-carboxylic acid is Cc1ncc(CN(C)S(=O)(=O)N2CCC(C(=O)O)CC2)s1.
What is the InChIKey of 1-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]sulfamoyl]piperidine-4-carboxylic acid?
The InChIKey is XENKARNDUIZJJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O4S2/c1-9-13-7-11(20-9)8-14(2)21(18,19)15-5-3-10(4-6-15)12(16)17/h7,10H,3-6,8H2,1-2H3,(H,16,17).
What are the key properties of 1-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]sulfamoyl]piperidine-4-carboxylic acid?
1-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]sulfamoyl]piperidine-4-carboxylic acid has a molecular weight of 333.44 g/mol, XLogP of 0.92, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]sulfamoyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 60951603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).