1-[(3S)-1-(4-methylthiophen-2-yl)sulfonylpyrrolidin-3-yl]pyrazole

C12H15N3O2S2 — CID 164632107

IUPAC1-[(3S)-1-(4-methylthiophen-2-yl)sulfonylpyrrolidin-3-yl]pyrazole
SMILESCc1csc(S(=O)(=O)N2CC[C@H](n3cccn3)C2)c1
InChIInChI=1S/C12H15N3O2S2/c1-10-7-12(18-9-10)19(16,17)14-6-3-11(8-14)15-5-2-4-13-15/h2,4-5,7,9,11H,3,6,8H2,1H3/t11-/m0/s1
InChIKeyMOXIGKYNJZJJCM-NSHDSACASA-N
MW297.41 g/mol
LogP1.89
Rot. Bonds3

About 1-[(3S)-1-(4-methylthiophen-2-yl)sulfonylpyrrolidin-3-yl]pyrazole

1-[(3S)-1-(4-methylthiophen-2-yl)sulfonylpyrrolidin-3-yl]pyrazole (PubChem CID 164632107) has the molecular formula C12H15N3O2S2 and a molecular weight of 297.41 g/mol. Its IUPAC name is 1-[(3S)-1-(4-methylthiophen-2-yl)sulfonylpyrrolidin-3-yl]pyrazole.

Molecular Properties

Compound Name1-[(3S)-1-(4-methylthiophen-2-yl)sulfonylpyrrolidin-3-yl]pyrazole
PubChem CID164632107
Molecular FormulaC12H15N3O2S2
Molecular Weight297.41 g/mol
Exact Mass297.06
IUPAC Name1-[(3S)-1-(4-methylthiophen-2-yl)sulfonylpyrrolidin-3-yl]pyrazole
SMILESCc1csc(S(=O)(=O)N2CC[C@H](n3cccn3)C2)c1
InChIInChI=1S/C12H15N3O2S2/c1-10-7-12(18-9-10)19(16,17)14-6-3-11(8-14)15-5-2-4-13-15/h2,4-5,7,9,11H,3,6,8H2,1H3/t11-/m0/s1
InChIKeyMOXIGKYNJZJJCM-NSHDSACASA-N
XLogP1.89
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.41
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[(3S)-1-(4-methylthiophen-2-yl)sulfonylpyrrolidin-3-yl]pyrazole 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 1-[(3S)-1-(4-methylthiophen-2-yl)sulfonylpyrrolidin-3-yl]pyrazole?
The IUPAC name of 1-[(3S)-1-(4-methylthiophen-2-yl)sulfonylpyrrolidin-3-yl]pyrazole (CID 164632107) is 1-[(3S)-1-(4-methylthiophen-2-yl)sulfonylpyrrolidin-3-yl]pyrazole.
What is the SMILES notation for 1-[(3S)-1-(4-methylthiophen-2-yl)sulfonylpyrrolidin-3-yl]pyrazole?
The canonical SMILES for 1-[(3S)-1-(4-methylthiophen-2-yl)sulfonylpyrrolidin-3-yl]pyrazole is Cc1csc(S(=O)(=O)N2CC[C@H](n3cccn3)C2)c1.
What is the InChIKey of 1-[(3S)-1-(4-methylthiophen-2-yl)sulfonylpyrrolidin-3-yl]pyrazole?
The InChIKey is MOXIGKYNJZJJCM-NSHDSACASA-N. The full InChI is InChI=1S/C12H15N3O2S2/c1-10-7-12(18-9-10)19(16,17)14-6-3-11(8-14)15-5-2-4-13-15/h2,4-5,7,9,11H,3,6,8H2,1H3/t11-/m0/s1.
What are the key properties of 1-[(3S)-1-(4-methylthiophen-2-yl)sulfonylpyrrolidin-3-yl]pyrazole?
1-[(3S)-1-(4-methylthiophen-2-yl)sulfonylpyrrolidin-3-yl]pyrazole has a molecular weight of 297.41 g/mol, XLogP of 1.89, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-1-(4-methylthiophen-2-yl)sulfonylpyrrolidin-3-yl]pyrazole is sourced from PubChem (CID 164632107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).