5-(3,4-dihydroxypyrrolidin-1-yl)sulfonylpyridine-2-carbothioamide

C10H13N3O4S2 — CID 106669527

IUPAC5-(3,4-dihydroxypyrrolidin-1-yl)sulfonylpyridine-2-carbothioamide
SMILESNC(=S)c1ccc(S(=O)(=O)N2CC(O)C(O)C2)cn1
InChIInChI=1S/C10H13N3O4S2/c11-10(18)7-2-1-6(3-12-7)19(16,17)13-4-8(14)9(15)5-13/h1-3,8-9,14-15H,4-5H2,(H2,11,18)
InChIKeyCIXPWFYPKCHVBJ-UHFFFAOYSA-N
MW303.37 g/mol
LogP-1.56
Rot. Bonds3

About 5-(3,4-dihydroxypyrrolidin-1-yl)sulfonylpyridine-2-carbothioamide

5-(3,4-dihydroxypyrrolidin-1-yl)sulfonylpyridine-2-carbothioamide (PubChem CID 106669527) has the molecular formula C10H13N3O4S2 and a molecular weight of 303.37 g/mol. Its IUPAC name is 5-(3,4-dihydroxypyrrolidin-1-yl)sulfonylpyridine-2-carbothioamide.

Molecular Properties

Compound Name5-(3,4-dihydroxypyrrolidin-1-yl)sulfonylpyridine-2-carbothioamide
PubChem CID106669527
Molecular FormulaC10H13N3O4S2
Molecular Weight303.37 g/mol
Exact Mass303.03
IUPAC Name5-(3,4-dihydroxypyrrolidin-1-yl)sulfonylpyridine-2-carbothioamide
SMILESNC(=S)c1ccc(S(=O)(=O)N2CC(O)C(O)C2)cn1
InChIInChI=1S/C10H13N3O4S2/c11-10(18)7-2-1-6(3-12-7)19(16,17)13-4-8(14)9(15)5-13/h1-3,8-9,14-15H,4-5H2,(H2,11,18)
InChIKeyCIXPWFYPKCHVBJ-UHFFFAOYSA-N
XLogP-1.56
TPSA116.75 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 5-1.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 5-(3,4-dihydroxypyrrolidin-1-yl)sulfonylpyridine-2-carbothioamide with MolForge

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

Launch Full Analysis

Related Compounds

5-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylsulfonyl)pyridine-2-carbothioamide
CID 114614631
5-(azocan-1-ylsulfonyl)pyridine-2-carbothioamide
CID 114614086
5-(azepan-1-ylsulfonyl)pyridine-2-carbothioamide
CID 114613969
5-(3-ethylpyrrolidin-1-yl)sulfonylpyridine-2-carbothioamide
CID 114614680
5-[(1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]pyridine-2-carbothioamide
CID 114614175
5-(3-tert-butylpyrrolidin-1-yl)sulfonylpyridine-2-carbothioamide
CID 114614678
N-[1-[(6-carbamothioyl-3-pyridinyl)sulfonyl]pyrrolidin-3-yl]acetamide
CID 114614666
5-(2-ethylmorpholin-4-yl)sulfonylpyridine-2-carbothioamide
CID 114614163
5-(2,3,5-trimethylpiperidin-1-yl)sulfonylpyridine-2-carbothioamide
CID 114614762
5-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-ylsulfonyl)pyridine-2-carbothioamide
CID 114614547
5-[(5-oxo-1,4-diazepan-1-yl)sulfonyl]pyridine-2-carbothioamide
CID 114614439
5-(2,3-dimethylthiomorpholin-4-yl)sulfonylpyridine-2-carbothioamide
CID 114614740

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dihydroxypyrrolidin-1-yl)sulfonylpyridine-2-carbothioamide?
The IUPAC name of 5-(3,4-dihydroxypyrrolidin-1-yl)sulfonylpyridine-2-carbothioamide (CID 106669527) is 5-(3,4-dihydroxypyrrolidin-1-yl)sulfonylpyridine-2-carbothioamide.
What is the SMILES notation for 5-(3,4-dihydroxypyrrolidin-1-yl)sulfonylpyridine-2-carbothioamide?
The canonical SMILES for 5-(3,4-dihydroxypyrrolidin-1-yl)sulfonylpyridine-2-carbothioamide is NC(=S)c1ccc(S(=O)(=O)N2CC(O)C(O)C2)cn1.
What is the InChIKey of 5-(3,4-dihydroxypyrrolidin-1-yl)sulfonylpyridine-2-carbothioamide?
The InChIKey is CIXPWFYPKCHVBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O4S2/c11-10(18)7-2-1-6(3-12-7)19(16,17)13-4-8(14)9(15)5-13/h1-3,8-9,14-15H,4-5H2,(H2,11,18).
What are the key properties of 5-(3,4-dihydroxypyrrolidin-1-yl)sulfonylpyridine-2-carbothioamide?
5-(3,4-dihydroxypyrrolidin-1-yl)sulfonylpyridine-2-carbothioamide has a molecular weight of 303.37 g/mol, XLogP of -1.56, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dihydroxypyrrolidin-1-yl)sulfonylpyridine-2-carbothioamide is sourced from PubChem (CID 106669527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).