(2S)-N-(2-hydroxyethyl)-1-(thieno[2,3-c]pyridine-2-carbonyl)pyrrolidine-2-carboxamide

C15H17N3O3S — CID 167811053

IUPAC(2S)-N-(2-hydroxyethyl)-1-(thieno[2,3-c]pyridine-2-carbonyl)pyrrolidine-2-carboxamide
SMILESO=C(NCCO)[C@@H]1CCCN1C(=O)c1cc2ccncc2s1
InChIInChI=1S/C15H17N3O3S/c19-7-5-17-14(20)11-2-1-6-18(11)15(21)12-8-10-3-4-16-9-13(10)22-12/h3-4,8-9,11,19H,1-2,5-7H2,(H,17,20)/t11-/m0/s1
InChIKeyIUKWHFITXWHQMT-NSHDSACASA-N
MW319.39 g/mol
LogP1.01
Rot. Bonds4

About (2S)-N-(2-hydroxyethyl)-1-(thieno[2,3-c]pyridine-2-carbonyl)pyrrolidine-2-carboxamide

(2S)-N-(2-hydroxyethyl)-1-(thieno[2,3-c]pyridine-2-carbonyl)pyrrolidine-2-carboxamide (PubChem CID 167811053) has the molecular formula C15H17N3O3S and a molecular weight of 319.39 g/mol. Its IUPAC name is (2S)-N-(2-hydroxyethyl)-1-(thieno[2,3-c]pyridine-2-carbonyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-(2-hydroxyethyl)-1-(thieno[2,3-c]pyridine-2-carbonyl)pyrrolidine-2-carboxamide
PubChem CID167811053
Molecular FormulaC15H17N3O3S
Molecular Weight319.39 g/mol
Exact Mass319.10
IUPAC Name(2S)-N-(2-hydroxyethyl)-1-(thieno[2,3-c]pyridine-2-carbonyl)pyrrolidine-2-carboxamide
SMILESO=C(NCCO)[C@@H]1CCCN1C(=O)c1cc2ccncc2s1
InChIInChI=1S/C15H17N3O3S/c19-7-5-17-14(20)11-2-1-6-18(11)15(21)12-8-10-3-4-16-9-13(10)22-12/h3-4,8-9,11,19H,1-2,5-7H2,(H,17,20)/t11-/m0/s1
InChIKeyIUKWHFITXWHQMT-NSHDSACASA-N
XLogP1.01
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.39
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-1-(1-benzothiophene-2-carbonyl)piperidine-2-carboxylic acid
CID 51888539
N-(2-cyclohexylethyl)-1-(3-pyridin-3-ylbenzoyl)pyrrolidine-2-carboxamide
CID 134801025
N-[4-[1-(4-chlorobenzoyl)piperidin-4-yl]butyl]thieno[2,3-c]pyridine-2-carboxamide
CID 70983195
(2R)-1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carbonyl)-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide
CID 94076044
1-benzoyl-N-(3-hydroxypropyl)piperidine-2-carboxamide
CID 110887535
1-(3,5-dichlorobenzoyl)-N-[3-(methylamino)propyl]pyrrolidine-2-carboxamide
CID 119429601
1-(4,5-dibromothiophene-2-carbonyl)-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide
CID 55600496
N-[4-[1-(1-methyl-2,3,3a,4,5,6,7,7a-octahydroindole-2-carbonyl)piperidin-4-yl]butyl]thieno[2,3-c]pyridine-2-carboxamide
CID 140651867
N-(1,3-benzothiazol-2-yl)-1-(4,5-dimethylthiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 86928151
N-(cyclopropylmethyl)-1-(3-pyridin-3-ylbenzoyl)pyrrolidine-2-carboxamide
CID 134803506
[(3R,4S)-3-benzyl-4-hydroxypyrrolidin-1-yl]-thieno[2,3-c]pyridin-2-ylmethanone
CID 136587831
3-[[1-(3,4-dichlorobenzoyl)pyrrolidine-2-carbonyl]amino]propanoic acid
CID 119351543

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2-hydroxyethyl)-1-(thieno[2,3-c]pyridine-2-carbonyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-(2-hydroxyethyl)-1-(thieno[2,3-c]pyridine-2-carbonyl)pyrrolidine-2-carboxamide (CID 167811053) is (2S)-N-(2-hydroxyethyl)-1-(thieno[2,3-c]pyridine-2-carbonyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-(2-hydroxyethyl)-1-(thieno[2,3-c]pyridine-2-carbonyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-(2-hydroxyethyl)-1-(thieno[2,3-c]pyridine-2-carbonyl)pyrrolidine-2-carboxamide is O=C(NCCO)[C@@H]1CCCN1C(=O)c1cc2ccncc2s1.
What is the InChIKey of (2S)-N-(2-hydroxyethyl)-1-(thieno[2,3-c]pyridine-2-carbonyl)pyrrolidine-2-carboxamide?
The InChIKey is IUKWHFITXWHQMT-NSHDSACASA-N. The full InChI is InChI=1S/C15H17N3O3S/c19-7-5-17-14(20)11-2-1-6-18(11)15(21)12-8-10-3-4-16-9-13(10)22-12/h3-4,8-9,11,19H,1-2,5-7H2,(H,17,20)/t11-/m0/s1.
What are the key properties of (2S)-N-(2-hydroxyethyl)-1-(thieno[2,3-c]pyridine-2-carbonyl)pyrrolidine-2-carboxamide?
(2S)-N-(2-hydroxyethyl)-1-(thieno[2,3-c]pyridine-2-carbonyl)pyrrolidine-2-carboxamide has a molecular weight of 319.39 g/mol, XLogP of 1.01, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2-hydroxyethyl)-1-(thieno[2,3-c]pyridine-2-carbonyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 167811053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).