N-[2-oxo-2-[2-(1,3-thiazol-2-yl)piperidin-1-yl]ethyl]thiophene-2-sulfonamide

C14H17N3O3S3 — CID 91836688

IUPACN-[2-oxo-2-[2-(1,3-thiazol-2-yl)piperidin-1-yl]ethyl]thiophene-2-sulfonamide
SMILESO=C(CNS(=O)(=O)c1cccs1)N1CCCCC1c1nccs1
InChIInChI=1S/C14H17N3O3S3/c18-12(10-16-23(19,20)13-5-3-8-21-13)17-7-2-1-4-11(17)14-15-6-9-22-14/h3,5-6,8-9,11,16H,1-2,4,7,10H2
InChIKeyDEHVVXOXGBMQBN-UHFFFAOYSA-N
MW371.51 g/mol
LogP2.24
Rot. Bonds5

About N-[2-oxo-2-[2-(1,3-thiazol-2-yl)piperidin-1-yl]ethyl]thiophene-2-sulfonamide

N-[2-oxo-2-[2-(1,3-thiazol-2-yl)piperidin-1-yl]ethyl]thiophene-2-sulfonamide (PubChem CID 91836688) has the molecular formula C14H17N3O3S3 and a molecular weight of 371.51 g/mol. Its IUPAC name is N-[2-oxo-2-[2-(1,3-thiazol-2-yl)piperidin-1-yl]ethyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[2-oxo-2-[2-(1,3-thiazol-2-yl)piperidin-1-yl]ethyl]thiophene-2-sulfonamide
PubChem CID91836688
Molecular FormulaC14H17N3O3S3
Molecular Weight371.51 g/mol
Exact Mass371.04
IUPAC NameN-[2-oxo-2-[2-(1,3-thiazol-2-yl)piperidin-1-yl]ethyl]thiophene-2-sulfonamide
SMILESO=C(CNS(=O)(=O)c1cccs1)N1CCCCC1c1nccs1
InChIInChI=1S/C14H17N3O3S3/c18-12(10-16-23(19,20)13-5-3-8-21-13)17-7-2-1-4-11(17)14-15-6-9-22-14/h3,5-6,8-9,11,16H,1-2,4,7,10H2
InChIKeyDEHVVXOXGBMQBN-UHFFFAOYSA-N
XLogP2.24
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.51
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-2-[2-(1,3-thiazol-2-yl)piperidin-1-yl]ethyl]thiophene-2-sulfonamide?
The IUPAC name of N-[2-oxo-2-[2-(1,3-thiazol-2-yl)piperidin-1-yl]ethyl]thiophene-2-sulfonamide (CID 91836688) is N-[2-oxo-2-[2-(1,3-thiazol-2-yl)piperidin-1-yl]ethyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[2-oxo-2-[2-(1,3-thiazol-2-yl)piperidin-1-yl]ethyl]thiophene-2-sulfonamide?
The canonical SMILES for N-[2-oxo-2-[2-(1,3-thiazol-2-yl)piperidin-1-yl]ethyl]thiophene-2-sulfonamide is O=C(CNS(=O)(=O)c1cccs1)N1CCCCC1c1nccs1.
What is the InChIKey of N-[2-oxo-2-[2-(1,3-thiazol-2-yl)piperidin-1-yl]ethyl]thiophene-2-sulfonamide?
The InChIKey is DEHVVXOXGBMQBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3S3/c18-12(10-16-23(19,20)13-5-3-8-21-13)17-7-2-1-4-11(17)14-15-6-9-22-14/h3,5-6,8-9,11,16H,1-2,4,7,10H2.
What are the key properties of N-[2-oxo-2-[2-(1,3-thiazol-2-yl)piperidin-1-yl]ethyl]thiophene-2-sulfonamide?
N-[2-oxo-2-[2-(1,3-thiazol-2-yl)piperidin-1-yl]ethyl]thiophene-2-sulfonamide has a molecular weight of 371.51 g/mol, XLogP of 2.24, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-oxo-2-[2-(1,3-thiazol-2-yl)piperidin-1-yl]ethyl]thiophene-2-sulfonamide is sourced from PubChem (CID 91836688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).