1-(3,4-dimethylphenyl)sulfonyl-N-(1,3-thiazol-4-ylmethyl)piperidine-4-carboxamide

C18H23N3O3S2 — CID 20973376

IUPAC1-(3,4-dimethylphenyl)sulfonyl-N-(1,3-thiazol-4-ylmethyl)piperidine-4-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCC(C(=O)NCc3cscn3)CC2)cc1C
InChIInChI=1S/C18H23N3O3S2/c1-13-3-4-17(9-14(13)2)26(23,24)21-7-5-15(6-8-21)18(22)19-10-16-11-25-12-20-16/h3-4,9,11-12,15H,5-8,10H2,1-2H3,(H,19,22)
InChIKeySBYVULDAZPOULV-UHFFFAOYSA-N
MW393.53 g/mol
LogP2.48
Rot. Bonds5

About 1-(3,4-dimethylphenyl)sulfonyl-N-(1,3-thiazol-4-ylmethyl)piperidine-4-carboxamide

1-(3,4-dimethylphenyl)sulfonyl-N-(1,3-thiazol-4-ylmethyl)piperidine-4-carboxamide (PubChem CID 20973376) has the molecular formula C18H23N3O3S2 and a molecular weight of 393.53 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)sulfonyl-N-(1,3-thiazol-4-ylmethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)sulfonyl-N-(1,3-thiazol-4-ylmethyl)piperidine-4-carboxamide
PubChem CID20973376
Molecular FormulaC18H23N3O3S2
Molecular Weight393.53 g/mol
Exact Mass393.12
IUPAC Name1-(3,4-dimethylphenyl)sulfonyl-N-(1,3-thiazol-4-ylmethyl)piperidine-4-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCC(C(=O)NCc3cscn3)CC2)cc1C
InChIInChI=1S/C18H23N3O3S2/c1-13-3-4-17(9-14(13)2)26(23,24)21-7-5-15(6-8-21)18(22)19-10-16-11-25-12-20-16/h3-4,9,11-12,15H,5-8,10H2,1-2H3,(H,19,22)
InChIKeySBYVULDAZPOULV-UHFFFAOYSA-N
XLogP2.48
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.53
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylphenyl)sulfonyl-N-(1,3-thiazol-4-ylmethyl)piperidine-4-carboxamide?
The IUPAC name of 1-(3,4-dimethylphenyl)sulfonyl-N-(1,3-thiazol-4-ylmethyl)piperidine-4-carboxamide (CID 20973376) is 1-(3,4-dimethylphenyl)sulfonyl-N-(1,3-thiazol-4-ylmethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(3,4-dimethylphenyl)sulfonyl-N-(1,3-thiazol-4-ylmethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(3,4-dimethylphenyl)sulfonyl-N-(1,3-thiazol-4-ylmethyl)piperidine-4-carboxamide is Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCc3cscn3)CC2)cc1C.
What is the InChIKey of 1-(3,4-dimethylphenyl)sulfonyl-N-(1,3-thiazol-4-ylmethyl)piperidine-4-carboxamide?
The InChIKey is SBYVULDAZPOULV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3S2/c1-13-3-4-17(9-14(13)2)26(23,24)21-7-5-15(6-8-21)18(22)19-10-16-11-25-12-20-16/h3-4,9,11-12,15H,5-8,10H2,1-2H3,(H,19,22).
What are the key properties of 1-(3,4-dimethylphenyl)sulfonyl-N-(1,3-thiazol-4-ylmethyl)piperidine-4-carboxamide?
1-(3,4-dimethylphenyl)sulfonyl-N-(1,3-thiazol-4-ylmethyl)piperidine-4-carboxamide has a molecular weight of 393.53 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylphenyl)sulfonyl-N-(1,3-thiazol-4-ylmethyl)piperidine-4-carboxamide is sourced from PubChem (CID 20973376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).