4-(3-methylpiperidin-1-yl)sulfonyl-N-(1,2-oxazol-3-yl)thiophene-2-carboxamide

C14H17N3O4S2 — CID 6503552

IUPAC4-(3-methylpiperidin-1-yl)sulfonyl-N-(1,2-oxazol-3-yl)thiophene-2-carboxamide
SMILESCC1CCCN(S(=O)(=O)c2csc(C(=O)Nc3ccon3)c2)C1
InChIInChI=1S/C14H17N3O4S2/c1-10-3-2-5-17(8-10)23(19,20)11-7-12(22-9-11)14(18)15-13-4-6-21-16-13/h4,6-7,9-10H,2-3,5,8H2,1H3,(H,15,16,18)
InChIKeyDCRIPFQANUAYCZ-UHFFFAOYSA-N
MW355.44 g/mol
LogP2.41
Rot. Bonds4

About 4-(3-methylpiperidin-1-yl)sulfonyl-N-(1,2-oxazol-3-yl)thiophene-2-carboxamide

4-(3-methylpiperidin-1-yl)sulfonyl-N-(1,2-oxazol-3-yl)thiophene-2-carboxamide (PubChem CID 6503552) has the molecular formula C14H17N3O4S2 and a molecular weight of 355.44 g/mol. Its IUPAC name is 4-(3-methylpiperidin-1-yl)sulfonyl-N-(1,2-oxazol-3-yl)thiophene-2-carboxamide.

Molecular Properties

Compound Name4-(3-methylpiperidin-1-yl)sulfonyl-N-(1,2-oxazol-3-yl)thiophene-2-carboxamide
PubChem CID6503552
Molecular FormulaC14H17N3O4S2
Molecular Weight355.44 g/mol
Exact Mass355.07
IUPAC Name4-(3-methylpiperidin-1-yl)sulfonyl-N-(1,2-oxazol-3-yl)thiophene-2-carboxamide
SMILESCC1CCCN(S(=O)(=O)c2csc(C(=O)Nc3ccon3)c2)C1
InChIInChI=1S/C14H17N3O4S2/c1-10-3-2-5-17(8-10)23(19,20)11-7-12(22-9-11)14(18)15-13-4-6-21-16-13/h4,6-7,9-10H,2-3,5,8H2,1H3,(H,15,16,18)
InChIKeyDCRIPFQANUAYCZ-UHFFFAOYSA-N
XLogP2.41
TPSA92.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-(3-methylpiperidin-1-yl)sulfonyl-N-(1,2-oxazol-3-yl)thiophene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(3-methylpiperidin-1-yl)sulfonyl-N-(1,2-oxazol-3-yl)thiophene-2-carboxamide?
The IUPAC name of 4-(3-methylpiperidin-1-yl)sulfonyl-N-(1,2-oxazol-3-yl)thiophene-2-carboxamide (CID 6503552) is 4-(3-methylpiperidin-1-yl)sulfonyl-N-(1,2-oxazol-3-yl)thiophene-2-carboxamide.
What is the SMILES notation for 4-(3-methylpiperidin-1-yl)sulfonyl-N-(1,2-oxazol-3-yl)thiophene-2-carboxamide?
The canonical SMILES for 4-(3-methylpiperidin-1-yl)sulfonyl-N-(1,2-oxazol-3-yl)thiophene-2-carboxamide is CC1CCCN(S(=O)(=O)c2csc(C(=O)Nc3ccon3)c2)C1.
What is the InChIKey of 4-(3-methylpiperidin-1-yl)sulfonyl-N-(1,2-oxazol-3-yl)thiophene-2-carboxamide?
The InChIKey is DCRIPFQANUAYCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O4S2/c1-10-3-2-5-17(8-10)23(19,20)11-7-12(22-9-11)14(18)15-13-4-6-21-16-13/h4,6-7,9-10H,2-3,5,8H2,1H3,(H,15,16,18).
What are the key properties of 4-(3-methylpiperidin-1-yl)sulfonyl-N-(1,2-oxazol-3-yl)thiophene-2-carboxamide?
4-(3-methylpiperidin-1-yl)sulfonyl-N-(1,2-oxazol-3-yl)thiophene-2-carboxamide has a molecular weight of 355.44 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylpiperidin-1-yl)sulfonyl-N-(1,2-oxazol-3-yl)thiophene-2-carboxamide is sourced from PubChem (CID 6503552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).