4-hydroxy-N-(thian-3-yl)pyrrolidine-2-carboxamide

C10H18N2O2S — CID 115740732

IUPAC4-hydroxy-N-(thian-3-yl)pyrrolidine-2-carboxamide
SMILESO=C(NC1CCCSC1)C1CC(O)CN1
InChIInChI=1S/C10H18N2O2S/c13-8-4-9(11-5-8)10(14)12-7-2-1-3-15-6-7/h7-9,11,13H,1-6H2,(H,12,14)
InChIKeyULQNJYIUDDYUIE-UHFFFAOYSA-N
MW230.33 g/mol
LogP-0.28
Rot. Bonds2

About 4-hydroxy-N-(thian-3-yl)pyrrolidine-2-carboxamide

4-hydroxy-N-(thian-3-yl)pyrrolidine-2-carboxamide (PubChem CID 115740732) has the molecular formula C10H18N2O2S and a molecular weight of 230.33 g/mol. Its IUPAC name is 4-hydroxy-N-(thian-3-yl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name4-hydroxy-N-(thian-3-yl)pyrrolidine-2-carboxamide
PubChem CID115740732
Molecular FormulaC10H18N2O2S
Molecular Weight230.33 g/mol
Exact Mass230.11
IUPAC Name4-hydroxy-N-(thian-3-yl)pyrrolidine-2-carboxamide
SMILESO=C(NC1CCCSC1)C1CC(O)CN1
InChIInChI=1S/C10H18N2O2S/c13-8-4-9(11-5-8)10(14)12-7-2-1-3-15-6-7/h7-9,11,13H,1-6H2,(H,12,14)
InChIKeyULQNJYIUDDYUIE-UHFFFAOYSA-N
XLogP-0.28
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.33
LogP ≤ 5-0.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-hydroxy-N-(thian-3-yl)pyrrolidine-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-hydroxy-N-(thian-3-yl)pyrrolidine-2-carboxamide?
The IUPAC name of 4-hydroxy-N-(thian-3-yl)pyrrolidine-2-carboxamide (CID 115740732) is 4-hydroxy-N-(thian-3-yl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 4-hydroxy-N-(thian-3-yl)pyrrolidine-2-carboxamide?
The canonical SMILES for 4-hydroxy-N-(thian-3-yl)pyrrolidine-2-carboxamide is O=C(NC1CCCSC1)C1CC(O)CN1.
What is the InChIKey of 4-hydroxy-N-(thian-3-yl)pyrrolidine-2-carboxamide?
The InChIKey is ULQNJYIUDDYUIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2S/c13-8-4-9(11-5-8)10(14)12-7-2-1-3-15-6-7/h7-9,11,13H,1-6H2,(H,12,14).
What are the key properties of 4-hydroxy-N-(thian-3-yl)pyrrolidine-2-carboxamide?
4-hydroxy-N-(thian-3-yl)pyrrolidine-2-carboxamide has a molecular weight of 230.33 g/mol, XLogP of -0.28, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-(thian-3-yl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 115740732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).