(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

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Related Compounds

(3R)-3-(ethoxymethyl)-N-(thiadiazol-5-yl)pyrrolidine-1-carboxamide
CID 99831664
N-(4-acetamidophenyl)-3-(piperidin-1-ylmethyl)pyrrolidine-1-carboxamide
CID 86800649
N-(2,5-dimethyl-4-pyridinyl)-3-(piperidin-1-ylmethyl)pyrrolidine-1-carboxamide
CID 146129975
N-(2-fluorophenyl)-3-(piperidin-1-ylmethyl)pyrrolidine-1-carboxamide
CID 146127859
N-(3,4-difluorophenyl)-3-(piperidin-1-ylmethyl)pyrrolidine-1-carboxamide
CID 146127673
2-(2-cyclohexylethyl)-N-(thiadiazol-5-yl)pyrrolidine-1-carboxamide
CID 126787490
(2S)-2-(hydroxymethyl)-N-(thiadiazol-5-yl)pyrrolidine-1-carboxamide
CID 154735256
N-(3-fluoro-5-methylphenyl)-3-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carboxamide
CID 75442945
N-(thiadiazol-5-yl)-2,3,3a,4,5,6,7,7a-octahydroindole-1-carboxamide
CID 86807487
(3S)-N-(2-fluoro-6-methoxyphenyl)-3-(piperidin-1-ylmethyl)pyrrolidine-1-carboxamide
CID 99826576
(2-aminophenyl)-[3-(piperidin-1-ylmethyl)pyrrolidin-1-yl]methanone;dihydrochloride
CID 119947355
(3R)-3-(pyrrolidin-1-ylmethyl)-N-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]pyrrolidine-1-carboxamide
CID 97333918

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).