4-hydroxy-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide

C15H22N2O3S — CID 60936615

IUPAC4-hydroxy-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide
SMILESO=C(C1CC(O)CN1)N(Cc1cccs1)CC1CCCO1
InChIInChI=1S/C15H22N2O3S/c18-11-7-14(16-8-11)15(19)17(9-12-3-1-5-20-12)10-13-4-2-6-21-13/h2,4,6,11-12,14,16,18H,1,3,5,7-10H2
InChIKeyHZFLNOIMPAPSKI-UHFFFAOYSA-N
MW310.42 g/mol
LogP0.98
Rot. Bonds5

About 4-hydroxy-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide

4-hydroxy-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide (PubChem CID 60936615) has the molecular formula C15H22N2O3S and a molecular weight of 310.42 g/mol. Its IUPAC name is 4-hydroxy-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name4-hydroxy-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide
PubChem CID60936615
Molecular FormulaC15H22N2O3S
Molecular Weight310.42 g/mol
Exact Mass310.14
IUPAC Name4-hydroxy-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide
SMILESO=C(C1CC(O)CN1)N(Cc1cccs1)CC1CCCO1
InChIInChI=1S/C15H22N2O3S/c18-11-7-14(16-8-11)15(19)17(9-12-3-1-5-20-12)10-13-4-2-6-21-13/h2,4,6,11-12,14,16,18H,1,3,5,7-10H2
InChIKeyHZFLNOIMPAPSKI-UHFFFAOYSA-N
XLogP0.98
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide
CID 81126276
1-[[(2R)-oxolan-2-yl]methyl]-1-(thiophen-2-ylmethyl)urea
CID 95581392
4-amino-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)cyclopent-2-ene-1-carboxamide
CID 79208816
N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)adamantane-1-carboxamide
CID 55456224
N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)butanamide
CID 60717923
2-(azetidin-3-yl)-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)propanamide
CID 116676200
(E)-4-oxo-4-[oxolan-2-ylmethyl(thiophen-2-ylmethyl)amino]but-2-enoic acid
CID 60953299
2-amino-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)propanamide
CID 54869237
trans-(1R,2R)-N-[[(2R)-oxolan-2-yl]methyl]-2-pyridin-3-yl-N-(thiophen-2-ylmethyl)cyclopropane-1-carboxamide
CID 124866651
1-[[(2R)-oxolan-2-yl]methyl]-3-prop-2-ynyl-1-(thiophen-2-ylmethyl)urea
CID 94179313
3-amino-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)butanamide
CID 54869247
(2S,4S)-4-hydroxy-N-methyl-N-(2-thiophen-2-ylethyl)pyrrolidine-2-carboxamide
CID 124516580

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide?
The IUPAC name of 4-hydroxy-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide (CID 60936615) is 4-hydroxy-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 4-hydroxy-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide?
The canonical SMILES for 4-hydroxy-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide is O=C(C1CC(O)CN1)N(Cc1cccs1)CC1CCCO1.
What is the InChIKey of 4-hydroxy-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide?
The InChIKey is HZFLNOIMPAPSKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3S/c18-11-7-14(16-8-11)15(19)17(9-12-3-1-5-20-12)10-13-4-2-6-21-13/h2,4,6,11-12,14,16,18H,1,3,5,7-10H2.
What are the key properties of 4-hydroxy-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide?
4-hydroxy-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide has a molecular weight of 310.42 g/mol, XLogP of 0.98, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 60936615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).