N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)thiophene-2-sulfonamide

C12H15N3O2S2 — CID 91629709

IUPACN-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)thiophene-2-sulfonamide
SMILESO=S(=O)(NCc1cnn2c1CCCC2)c1cccs1
InChIInChI=1S/C12H15N3O2S2/c16-19(17,12-5-3-7-18-12)14-9-10-8-13-15-6-2-1-4-11(10)15/h3,5,7-8,14H,1-2,4,6,9H2
InChIKeyRWQSNDLRFZMXSQ-UHFFFAOYSA-N
MW297.40 g/mol
LogP1.76
Rot. Bonds4

About N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)thiophene-2-sulfonamide

N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)thiophene-2-sulfonamide (PubChem CID 91629709) has the molecular formula C12H15N3O2S2 and a molecular weight of 297.40 g/mol. Its IUPAC name is N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)thiophene-2-sulfonamide
PubChem CID91629709
Molecular FormulaC12H15N3O2S2
Molecular Weight297.40 g/mol
Exact Mass297.06
IUPAC NameN-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)thiophene-2-sulfonamide
SMILESO=S(=O)(NCc1cnn2c1CCCC2)c1cccs1
InChIInChI=1S/C12H15N3O2S2/c16-19(17,12-5-3-7-18-12)14-9-10-8-13-15-6-2-1-4-11(10)15/h3,5,7-8,14H,1-2,4,6,9H2
InChIKeyRWQSNDLRFZMXSQ-UHFFFAOYSA-N
XLogP1.76
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)thiophene-2-sulfonamide?
The IUPAC name of N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)thiophene-2-sulfonamide (CID 91629709) is N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)thiophene-2-sulfonamide.
What is the SMILES notation for N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)thiophene-2-sulfonamide?
The canonical SMILES for N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)thiophene-2-sulfonamide is O=S(=O)(NCc1cnn2c1CCCC2)c1cccs1.
What is the InChIKey of N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)thiophene-2-sulfonamide?
The InChIKey is RWQSNDLRFZMXSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2S2/c16-19(17,12-5-3-7-18-12)14-9-10-8-13-15-6-2-1-4-11(10)15/h3,5,7-8,14H,1-2,4,6,9H2.
What are the key properties of N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)thiophene-2-sulfonamide?
N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)thiophene-2-sulfonamide has a molecular weight of 297.40 g/mol, XLogP of 1.76, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)thiophene-2-sulfonamide is sourced from PubChem (CID 91629709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).