(3S)-3-(piperidin-1-ylmethyl)-N-(thiadiazol-5-yl)pyrrolidine-1-carboxamide

C13H21N5OS — CID 99836083

IUPAC(3S)-3-(piperidin-1-ylmethyl)-N-(thiadiazol-5-yl)pyrrolidine-1-carboxamide
SMILESO=C(Nc1cnns1)N1CC[C@@H](CN2CCCCC2)C1
InChIInChI=1S/C13H21N5OS/c19-13(15-12-8-14-16-20-12)18-7-4-11(10-18)9-17-5-2-1-3-6-17/h8,11H,1-7,9-10H2,(H,15,19)/t11-/m0/s1
InChIKeyYUVZGVUMNWCWIX-NSHDSACASA-N
MW295.41 g/mol
LogP1.88
Rot. Bonds3

About (3S)-3-(piperidin-1-ylmethyl)-N-(thiadiazol-5-yl)pyrrolidine-1-carboxamide

(3S)-3-(piperidin-1-ylmethyl)-N-(thiadiazol-5-yl)pyrrolidine-1-carboxamide (PubChem CID 99836083) has the molecular formula C13H21N5OS and a molecular weight of 295.41 g/mol. Its IUPAC name is (3S)-3-(piperidin-1-ylmethyl)-N-(thiadiazol-5-yl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(3S)-3-(piperidin-1-ylmethyl)-N-(thiadiazol-5-yl)pyrrolidine-1-carboxamide
PubChem CID99836083
Molecular FormulaC13H21N5OS
Molecular Weight295.41 g/mol
Exact Mass295.15
IUPAC Name(3S)-3-(piperidin-1-ylmethyl)-N-(thiadiazol-5-yl)pyrrolidine-1-carboxamide
SMILESO=C(Nc1cnns1)N1CC[C@@H](CN2CCCCC2)C1
InChIInChI=1S/C13H21N5OS/c19-13(15-12-8-14-16-20-12)18-7-4-11(10-18)9-17-5-2-1-3-6-17/h8,11H,1-7,9-10H2,(H,15,19)/t11-/m0/s1
InChIKeyYUVZGVUMNWCWIX-NSHDSACASA-N
XLogP1.88
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.41
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3S)-3-(piperidin-1-ylmethyl)-N-(thiadiazol-5-yl)pyrrolidine-1-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 (3S)-3-(piperidin-1-ylmethyl)-N-(thiadiazol-5-yl)pyrrolidine-1-carboxamide?
The IUPAC name of (3S)-3-(piperidin-1-ylmethyl)-N-(thiadiazol-5-yl)pyrrolidine-1-carboxamide (CID 99836083) is (3S)-3-(piperidin-1-ylmethyl)-N-(thiadiazol-5-yl)pyrrolidine-1-carboxamide.
What is the SMILES notation for (3S)-3-(piperidin-1-ylmethyl)-N-(thiadiazol-5-yl)pyrrolidine-1-carboxamide?
The canonical SMILES for (3S)-3-(piperidin-1-ylmethyl)-N-(thiadiazol-5-yl)pyrrolidine-1-carboxamide is O=C(Nc1cnns1)N1CC[C@@H](CN2CCCCC2)C1.
What is the InChIKey of (3S)-3-(piperidin-1-ylmethyl)-N-(thiadiazol-5-yl)pyrrolidine-1-carboxamide?
The InChIKey is YUVZGVUMNWCWIX-NSHDSACASA-N. The full InChI is InChI=1S/C13H21N5OS/c19-13(15-12-8-14-16-20-12)18-7-4-11(10-18)9-17-5-2-1-3-6-17/h8,11H,1-7,9-10H2,(H,15,19)/t11-/m0/s1.
What are the key properties of (3S)-3-(piperidin-1-ylmethyl)-N-(thiadiazol-5-yl)pyrrolidine-1-carboxamide?
(3S)-3-(piperidin-1-ylmethyl)-N-(thiadiazol-5-yl)pyrrolidine-1-carboxamide has a molecular weight of 295.41 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(piperidin-1-ylmethyl)-N-(thiadiazol-5-yl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 99836083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).