4-hydroxy-N-(thian-4-ylmethyl)pyrrolidine-2-carboxamide;hydrochloride

C11H21ClN2O2S — CID 119756559

IUPAC4-hydroxy-N-(thian-4-ylmethyl)pyrrolidine-2-carboxamide;hydrochloride
SMILESCl.O=C(NCC1CCSCC1)C1CC(O)CN1
InChIInChI=1S/C11H20N2O2S.ClH/c14-9-5-10(12-7-9)11(15)13-6-8-1-3-16-4-2-8;/h8-10,12,14H,1-7H2,(H,13,15);1H
InChIKeyLTXPUGXJIITLIN-UHFFFAOYSA-N
MW280.82 g/mol
LogP0.39
Rot. Bonds3

About 4-hydroxy-N-(thian-4-ylmethyl)pyrrolidine-2-carboxamide;hydrochloride

4-hydroxy-N-(thian-4-ylmethyl)pyrrolidine-2-carboxamide;hydrochloride (PubChem CID 119756559) has the molecular formula C11H21ClN2O2S and a molecular weight of 280.82 g/mol. Its IUPAC name is 4-hydroxy-N-(thian-4-ylmethyl)pyrrolidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name4-hydroxy-N-(thian-4-ylmethyl)pyrrolidine-2-carboxamide;hydrochloride
PubChem CID119756559
Molecular FormulaC11H21ClN2O2S
Molecular Weight280.82 g/mol
Exact Mass280.10
IUPAC Name4-hydroxy-N-(thian-4-ylmethyl)pyrrolidine-2-carboxamide;hydrochloride
SMILESCl.O=C(NCC1CCSCC1)C1CC(O)CN1
InChIInChI=1S/C11H20N2O2S.ClH/c14-9-5-10(12-7-9)11(15)13-6-8-1-3-16-4-2-8;/h8-10,12,14H,1-7H2,(H,13,15);1H
InChIKeyLTXPUGXJIITLIN-UHFFFAOYSA-N
XLogP0.39
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.82
LogP ≤ 50.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(azetidin-3-ylmethyl)-4-hydroxypyrrolidine-2-carboxamide;hydrochloride
CID 131159808
4-hydroxy-N-[(1-propylpiperidin-4-yl)methyl]pyrrolidine-2-carboxamide;dihydrochloride
CID 119861445
4-hydroxy-N-(thiolan-2-ylmethyl)pyrrolidine-2-carboxamide
CID 80584481
(2S)-N-(thian-4-ylmethyl)pyrrolidine-2-carboxamide
CID 103796007
(2R)-N-(thian-4-ylmethyl)pyrrolidine-2-carboxamide
CID 103796004
N-(2-bicyclo[2.2.1]heptanylmethyl)-4-hydroxypyrrolidine-2-carboxamide
CID 55234438
N-[(2,2-dimethylcyclopropyl)methyl]-4-hydroxypyrrolidine-2-carboxamide;hydrochloride
CID 119785412
(2R,4S)-N-ethyl-4-hydroxypyrrolidine-2-carboxamide
CID 28943534
4-hydroxy-N-[(1-methylpyrrolidin-2-yl)methyl]pyrrolidine-2-carboxamide;dihydrochloride
CID 119860703
(2R,4R)-N-(cyclopropylmethyl)-4-fluoropyrrolidine-2-carboxamide
CID 129493468
N-[2-(cyclopropanecarbonylamino)ethyl]-4-hydroxypyrrolidine-2-carboxamide
CID 115738030
(2R,4R)-N-(2-aminoethyl)-4-hydroxypyrrolidine-2-carboxamide;hydrochloride
CID 130652446

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-(thian-4-ylmethyl)pyrrolidine-2-carboxamide;hydrochloride?
The IUPAC name of 4-hydroxy-N-(thian-4-ylmethyl)pyrrolidine-2-carboxamide;hydrochloride (CID 119756559) is 4-hydroxy-N-(thian-4-ylmethyl)pyrrolidine-2-carboxamide;hydrochloride.
What is the SMILES notation for 4-hydroxy-N-(thian-4-ylmethyl)pyrrolidine-2-carboxamide;hydrochloride?
The canonical SMILES for 4-hydroxy-N-(thian-4-ylmethyl)pyrrolidine-2-carboxamide;hydrochloride is Cl.O=C(NCC1CCSCC1)C1CC(O)CN1.
What is the InChIKey of 4-hydroxy-N-(thian-4-ylmethyl)pyrrolidine-2-carboxamide;hydrochloride?
The InChIKey is LTXPUGXJIITLIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2S.ClH/c14-9-5-10(12-7-9)11(15)13-6-8-1-3-16-4-2-8;/h8-10,12,14H,1-7H2,(H,13,15);1H.
What are the key properties of 4-hydroxy-N-(thian-4-ylmethyl)pyrrolidine-2-carboxamide;hydrochloride?
4-hydroxy-N-(thian-4-ylmethyl)pyrrolidine-2-carboxamide;hydrochloride has a molecular weight of 280.82 g/mol, XLogP of 0.39, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-(thian-4-ylmethyl)pyrrolidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119756559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).