(2R)-2-[(3R,4R)-4-hydroxyoxan-3-yl]-N-[(4-methylthiophen-3-yl)methyl]pyrrolidine-1-carboxamide

C16H24N2O3S — CID 124842938

IUPAC(2R)-2-[(3R,4R)-4-hydroxyoxan-3-yl]-N-[(4-methylthiophen-3-yl)methyl]pyrrolidine-1-carboxamide
SMILESCc1cscc1CNC(=O)N1CCC[C@@H]1[C@@H]1COCC[C@H]1O
InChIInChI=1S/C16H24N2O3S/c1-11-9-22-10-12(11)7-17-16(20)18-5-2-3-14(18)13-8-21-6-4-15(13)19/h9-10,13-15,19H,2-8H2,1H3,(H,17,20)/t13-,14+,15+/m0/s1
InChIKeyCWWKDVHPGUUNLK-RRFJBIMHSA-N
MW324.45 g/mol
LogP2.13
Rot. Bonds3

About (2R)-2-[(3R,4R)-4-hydroxyoxan-3-yl]-N-[(4-methylthiophen-3-yl)methyl]pyrrolidine-1-carboxamide

(2R)-2-[(3R,4R)-4-hydroxyoxan-3-yl]-N-[(4-methylthiophen-3-yl)methyl]pyrrolidine-1-carboxamide (PubChem CID 124842938) has the molecular formula C16H24N2O3S and a molecular weight of 324.45 g/mol. Its IUPAC name is (2R)-2-[(3R,4R)-4-hydroxyoxan-3-yl]-N-[(4-methylthiophen-3-yl)methyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2R)-2-[(3R,4R)-4-hydroxyoxan-3-yl]-N-[(4-methylthiophen-3-yl)methyl]pyrrolidine-1-carboxamide
PubChem CID124842938
Molecular FormulaC16H24N2O3S
Molecular Weight324.45 g/mol
Exact Mass324.15
IUPAC Name(2R)-2-[(3R,4R)-4-hydroxyoxan-3-yl]-N-[(4-methylthiophen-3-yl)methyl]pyrrolidine-1-carboxamide
SMILESCc1cscc1CNC(=O)N1CCC[C@@H]1[C@@H]1COCC[C@H]1O
InChIInChI=1S/C16H24N2O3S/c1-11-9-22-10-12(11)7-17-16(20)18-5-2-3-14(18)13-8-21-6-4-15(13)19/h9-10,13-15,19H,2-8H2,1H3,(H,17,20)/t13-,14+,15+/m0/s1
InChIKeyCWWKDVHPGUUNLK-RRFJBIMHSA-N
XLogP2.13
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2R)-2-[(3R,4R)-4-hydroxyoxan-3-yl]-N-[(4-methylthiophen-3-yl)methyl]pyrrolidine-1-carboxamide with MolForge

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Related Compounds

(2R)-N-[(2R)-2-(diethylamino)propyl]-2-[(3S,4S)-4-hydroxyoxan-3-yl]pyrrolidine-1-carboxamide
CID 124882409
(2R)-N-[(2R)-2-(diethylamino)propyl]-2-[(3R,4R)-4-hydroxyoxan-3-yl]pyrrolidine-1-carboxamide
CID 124882420
(2R)-2-[(3S,4S)-4-hydroxyoxan-3-yl]-N-[(3R)-3-phenylbutyl]pyrrolidine-1-carboxamide
CID 129434540
(2,3-dimethylphenyl)-[(2R)-2-[(3S,4R)-4-hydroxyoxan-3-yl]pyrrolidin-1-yl]methanone
CID 129349773
(2-fluoro-3-methylphenyl)-[(2R)-2-[(3S,4S)-4-hydroxyoxan-3-yl]pyrrolidin-1-yl]methanone
CID 129349780
[2-(4-hydroxyoxan-3-yl)pyrrolidin-1-yl]-(4-methoxy-3,5-dimethylphenyl)methanone
CID 128965133
2-(4-ethoxyphenyl)-1-[(2R)-2-[(3S,4R)-4-hydroxyoxan-3-yl]pyrrolidin-1-yl]ethanone
CID 129346671
(4-fluoro-3-methylphenyl)-[(2R)-2-[(3S,4R)-4-hydroxyoxan-3-yl]pyrrolidin-1-yl]methanone
CID 129447494
3-(3,5-dimethylphenoxy)-1-[(2R)-2-[(3R,4R)-4-hydroxyoxan-3-yl]pyrrolidin-1-yl]propan-1-one
CID 129447177
[(2R)-2-[(3R,4R)-4-hydroxyoxan-3-yl]pyrrolidin-1-yl]-(3-methoxy-4-methylphenyl)methanone
CID 129491176
2-(5-fluoro-2-methoxyphenyl)-1-[2-(4-hydroxyoxan-3-yl)pyrrolidin-1-yl]ethanone
CID 154738919
(4-chlorophenyl)-[(2R)-2-[(3R,4R)-4-hydroxyoxan-3-yl]pyrrolidin-1-yl]methanone
CID 129447461

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(3R,4R)-4-hydroxyoxan-3-yl]-N-[(4-methylthiophen-3-yl)methyl]pyrrolidine-1-carboxamide?
The IUPAC name of (2R)-2-[(3R,4R)-4-hydroxyoxan-3-yl]-N-[(4-methylthiophen-3-yl)methyl]pyrrolidine-1-carboxamide (CID 124842938) is (2R)-2-[(3R,4R)-4-hydroxyoxan-3-yl]-N-[(4-methylthiophen-3-yl)methyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for (2R)-2-[(3R,4R)-4-hydroxyoxan-3-yl]-N-[(4-methylthiophen-3-yl)methyl]pyrrolidine-1-carboxamide?
The canonical SMILES for (2R)-2-[(3R,4R)-4-hydroxyoxan-3-yl]-N-[(4-methylthiophen-3-yl)methyl]pyrrolidine-1-carboxamide is Cc1cscc1CNC(=O)N1CCC[C@@H]1[C@@H]1COCC[C@H]1O.
What is the InChIKey of (2R)-2-[(3R,4R)-4-hydroxyoxan-3-yl]-N-[(4-methylthiophen-3-yl)methyl]pyrrolidine-1-carboxamide?
The InChIKey is CWWKDVHPGUUNLK-RRFJBIMHSA-N. The full InChI is InChI=1S/C16H24N2O3S/c1-11-9-22-10-12(11)7-17-16(20)18-5-2-3-14(18)13-8-21-6-4-15(13)19/h9-10,13-15,19H,2-8H2,1H3,(H,17,20)/t13-,14+,15+/m0/s1.
What are the key properties of (2R)-2-[(3R,4R)-4-hydroxyoxan-3-yl]-N-[(4-methylthiophen-3-yl)methyl]pyrrolidine-1-carboxamide?
(2R)-2-[(3R,4R)-4-hydroxyoxan-3-yl]-N-[(4-methylthiophen-3-yl)methyl]pyrrolidine-1-carboxamide has a molecular weight of 324.45 g/mol, XLogP of 2.13, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(3R,4R)-4-hydroxyoxan-3-yl]-N-[(4-methylthiophen-3-yl)methyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 124842938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).