N-[[1-(2-methyl-1,3-thiazole-4-carbonyl)piperidin-3-yl]methyl]thiophene-2-sulfonamide

C15H19N3O3S3 — CID 45218317

IUPACN-[[1-(2-methyl-1,3-thiazole-4-carbonyl)piperidin-3-yl]methyl]thiophene-2-sulfonamide
SMILESCc1nc(C(=O)N2CCCC(CNS(=O)(=O)c3cccs3)C2)cs1
InChIInChI=1S/C15H19N3O3S3/c1-11-17-13(10-23-11)15(19)18-6-2-4-12(9-18)8-16-24(20,21)14-5-3-7-22-14/h3,5,7,10,12,16H,2,4,6,8-9H2,1H3
InChIKeyOERRFYAVFPQESA-UHFFFAOYSA-N
MW385.54 g/mol
LogP2.34
Rot. Bonds5

About N-[[1-(2-methyl-1,3-thiazole-4-carbonyl)piperidin-3-yl]methyl]thiophene-2-sulfonamide

N-[[1-(2-methyl-1,3-thiazole-4-carbonyl)piperidin-3-yl]methyl]thiophene-2-sulfonamide (PubChem CID 45218317) has the molecular formula C15H19N3O3S3 and a molecular weight of 385.54 g/mol. Its IUPAC name is N-[[1-(2-methyl-1,3-thiazole-4-carbonyl)piperidin-3-yl]methyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[[1-(2-methyl-1,3-thiazole-4-carbonyl)piperidin-3-yl]methyl]thiophene-2-sulfonamide
PubChem CID45218317
Molecular FormulaC15H19N3O3S3
Molecular Weight385.54 g/mol
Exact Mass385.06
IUPAC NameN-[[1-(2-methyl-1,3-thiazole-4-carbonyl)piperidin-3-yl]methyl]thiophene-2-sulfonamide
SMILESCc1nc(C(=O)N2CCCC(CNS(=O)(=O)c3cccs3)C2)cs1
InChIInChI=1S/C15H19N3O3S3/c1-11-17-13(10-23-11)15(19)18-6-2-4-12(9-18)8-16-24(20,21)14-5-3-7-22-14/h3,5,7,10,12,16H,2,4,6,8-9H2,1H3
InChIKeyOERRFYAVFPQESA-UHFFFAOYSA-N
XLogP2.34
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.54
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-methyl-1,3-thiazole-4-carbonyl)piperidin-3-yl]methyl]thiophene-2-sulfonamide?
The IUPAC name of N-[[1-(2-methyl-1,3-thiazole-4-carbonyl)piperidin-3-yl]methyl]thiophene-2-sulfonamide (CID 45218317) is N-[[1-(2-methyl-1,3-thiazole-4-carbonyl)piperidin-3-yl]methyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[[1-(2-methyl-1,3-thiazole-4-carbonyl)piperidin-3-yl]methyl]thiophene-2-sulfonamide?
The canonical SMILES for N-[[1-(2-methyl-1,3-thiazole-4-carbonyl)piperidin-3-yl]methyl]thiophene-2-sulfonamide is Cc1nc(C(=O)N2CCCC(CNS(=O)(=O)c3cccs3)C2)cs1.
What is the InChIKey of N-[[1-(2-methyl-1,3-thiazole-4-carbonyl)piperidin-3-yl]methyl]thiophene-2-sulfonamide?
The InChIKey is OERRFYAVFPQESA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3S3/c1-11-17-13(10-23-11)15(19)18-6-2-4-12(9-18)8-16-24(20,21)14-5-3-7-22-14/h3,5,7,10,12,16H,2,4,6,8-9H2,1H3.
What are the key properties of N-[[1-(2-methyl-1,3-thiazole-4-carbonyl)piperidin-3-yl]methyl]thiophene-2-sulfonamide?
N-[[1-(2-methyl-1,3-thiazole-4-carbonyl)piperidin-3-yl]methyl]thiophene-2-sulfonamide has a molecular weight of 385.54 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-methyl-1,3-thiazole-4-carbonyl)piperidin-3-yl]methyl]thiophene-2-sulfonamide is sourced from PubChem (CID 45218317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).