4-hydroxy-N-(thiolan-2-ylmethyl)pyrrolidine-2-carboxamide

C10H18N2O2S — CID 80584481

IUPAC4-hydroxy-N-(thiolan-2-ylmethyl)pyrrolidine-2-carboxamide
SMILESO=C(NCC1CCCS1)C1CC(O)CN1
InChIInChI=1S/C10H18N2O2S/c13-7-4-9(11-5-7)10(14)12-6-8-2-1-3-15-8/h7-9,11,13H,1-6H2,(H,12,14)
InChIKeyQBNONHGKAMHOEA-UHFFFAOYSA-N
MW230.33 g/mol
LogP-0.28
Rot. Bonds3

About 4-hydroxy-N-(thiolan-2-ylmethyl)pyrrolidine-2-carboxamide

4-hydroxy-N-(thiolan-2-ylmethyl)pyrrolidine-2-carboxamide (PubChem CID 80584481) has the molecular formula C10H18N2O2S and a molecular weight of 230.33 g/mol. Its IUPAC name is 4-hydroxy-N-(thiolan-2-ylmethyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name4-hydroxy-N-(thiolan-2-ylmethyl)pyrrolidine-2-carboxamide
PubChem CID80584481
Molecular FormulaC10H18N2O2S
Molecular Weight230.33 g/mol
Exact Mass230.11
IUPAC Name4-hydroxy-N-(thiolan-2-ylmethyl)pyrrolidine-2-carboxamide
SMILESO=C(NCC1CCCS1)C1CC(O)CN1
InChIInChI=1S/C10H18N2O2S/c13-7-4-9(11-5-7)10(14)12-6-8-2-1-3-15-8/h7-9,11,13H,1-6H2,(H,12,14)
InChIKeyQBNONHGKAMHOEA-UHFFFAOYSA-N
XLogP-0.28
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.33
LogP ≤ 5-0.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-hydroxy-N-(thian-4-ylmethyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119756559
N-(thiolan-2-ylmethyl)azepane-2-carboxamide
CID 80584708
N-(thian-2-ylmethyl)piperidine-2-carboxamide
CID 80599886
N-(2-bicyclo[2.2.1]heptanylmethyl)-4-hydroxypyrrolidine-2-carboxamide
CID 55234438
N-(azetidin-3-ylmethyl)-4-hydroxypyrrolidine-2-carboxamide;hydrochloride
CID 131159808
2-methyl-N-(thiolan-2-ylmethyl)piperidine-4-carboxamide
CID 106740363
(2R,4S)-N-ethyl-4-hydroxypyrrolidine-2-carboxamide
CID 28943534
(3R)-N-(thiolan-2-ylmethyl)piperidine-3-carboxamide
CID 81135090
4-hydroxy-N-[(1-methylpyrrolidin-2-yl)methyl]pyrrolidine-2-carboxamide;dihydrochloride
CID 119860703
N-[2-(cyclopropanecarbonylamino)ethyl]-4-hydroxypyrrolidine-2-carboxamide
CID 115738030
2-[[(2S,4S)-4-hydroxypyrrolidine-2-carbonyl]amino]acetic acid
CID 92860822
N-[(2,2-dimethylcyclopropyl)methyl]-4-hydroxypyrrolidine-2-carboxamide;hydrochloride
CID 119785412

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-(thiolan-2-ylmethyl)pyrrolidine-2-carboxamide?
The IUPAC name of 4-hydroxy-N-(thiolan-2-ylmethyl)pyrrolidine-2-carboxamide (CID 80584481) is 4-hydroxy-N-(thiolan-2-ylmethyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 4-hydroxy-N-(thiolan-2-ylmethyl)pyrrolidine-2-carboxamide?
The canonical SMILES for 4-hydroxy-N-(thiolan-2-ylmethyl)pyrrolidine-2-carboxamide is O=C(NCC1CCCS1)C1CC(O)CN1.
What is the InChIKey of 4-hydroxy-N-(thiolan-2-ylmethyl)pyrrolidine-2-carboxamide?
The InChIKey is QBNONHGKAMHOEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2S/c13-7-4-9(11-5-7)10(14)12-6-8-2-1-3-15-8/h7-9,11,13H,1-6H2,(H,12,14).
What are the key properties of 4-hydroxy-N-(thiolan-2-ylmethyl)pyrrolidine-2-carboxamide?
4-hydroxy-N-(thiolan-2-ylmethyl)pyrrolidine-2-carboxamide has a molecular weight of 230.33 g/mol, XLogP of -0.28, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-(thiolan-2-ylmethyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 80584481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).