(2S)-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]pyrrolidine-2-carboxamide;hydrochloride

C14H22ClN3OS — CID 122081384

IUPAC(2S)-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]pyrrolidine-2-carboxamide;hydrochloride
SMILESCl.O=C(NCCN1CCc2sccc2C1)[C@@H]1CCCN1
InChIInChI=1S/C14H21N3OS.ClH/c18-14(12-2-1-5-15-12)16-6-8-17-7-3-13-11(10-17)4-9-19-13;/h4,9,12,15H,1-3,5-8,10H2,(H,16,18);1H/t12-;/m0./s1
InChIKeyLCJTXVZZGKJBSS-YDALLXLXSA-N
MW315.87 g/mol
LogP1.40
Rot. Bonds4

About (2S)-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]pyrrolidine-2-carboxamide;hydrochloride

(2S)-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]pyrrolidine-2-carboxamide;hydrochloride (PubChem CID 122081384) has the molecular formula C14H22ClN3OS and a molecular weight of 315.87 g/mol. Its IUPAC name is (2S)-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]pyrrolidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2S)-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]pyrrolidine-2-carboxamide;hydrochloride
PubChem CID122081384
Molecular FormulaC14H22ClN3OS
Molecular Weight315.87 g/mol
Exact Mass315.12
IUPAC Name(2S)-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]pyrrolidine-2-carboxamide;hydrochloride
SMILESCl.O=C(NCCN1CCc2sccc2C1)[C@@H]1CCCN1
InChIInChI=1S/C14H21N3OS.ClH/c18-14(12-2-1-5-15-12)16-6-8-17-7-3-13-11(10-17)4-9-19-13;/h4,9,12,15H,1-3,5-8,10H2,(H,16,18);1H/t12-;/m0./s1
InChIKeyLCJTXVZZGKJBSS-YDALLXLXSA-N
XLogP1.40
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.87
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]piperidine-2-carboxamide
CID 119850094
N-[2-(4-methylpiperazin-1-yl)ethyl]pyrrolidine-2-carboxamide
CID 60717706
N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]acetamide
CID 47139831
(2S)-N-(2-pyrrolidin-1-ylethyl)pyrrolidine-2-carboxamide
CID 61154018
2-amino-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]acetamide;dihydrochloride
CID 119862338
N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-2-thiomorpholin-3-ylacetamide
CID 119941544
N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-2-methylpiperidine-1-carboxamide
CID 60569889
N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]thiomorpholine-4-carboxamide
CID 60569564
(2R)-N-[2-(4-methylpiperidin-1-yl)ethyl]pyrrolidine-2-carboxamide
CID 103813586
N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]pyrrolidine-2-carboxamide
CID 119902310
N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-4-(oxolane-2-carbonyl)piperazine-1-carboxamide
CID 60569853
1-cyclopentyl-3-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-2-methylguanidine
CID 110989739

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]pyrrolidine-2-carboxamide;hydrochloride?
The IUPAC name of (2S)-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]pyrrolidine-2-carboxamide;hydrochloride (CID 122081384) is (2S)-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]pyrrolidine-2-carboxamide;hydrochloride.
What is the SMILES notation for (2S)-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]pyrrolidine-2-carboxamide;hydrochloride?
The canonical SMILES for (2S)-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]pyrrolidine-2-carboxamide;hydrochloride is Cl.O=C(NCCN1CCc2sccc2C1)[C@@H]1CCCN1.
What is the InChIKey of (2S)-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]pyrrolidine-2-carboxamide;hydrochloride?
The InChIKey is LCJTXVZZGKJBSS-YDALLXLXSA-N. The full InChI is InChI=1S/C14H21N3OS.ClH/c18-14(12-2-1-5-15-12)16-6-8-17-7-3-13-11(10-17)4-9-19-13;/h4,9,12,15H,1-3,5-8,10H2,(H,16,18);1H/t12-;/m0./s1.
What are the key properties of (2S)-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]pyrrolidine-2-carboxamide;hydrochloride?
(2S)-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]pyrrolidine-2-carboxamide;hydrochloride has a molecular weight of 315.87 g/mol, XLogP of 1.40, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]pyrrolidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 122081384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).