4-methoxy-N-(1-methylsulfanylpropan-2-yl)pyrrolidine-2-carboxamide

C10H20N2O2S — CID 115753473

IUPAC4-methoxy-N-(1-methylsulfanylpropan-2-yl)pyrrolidine-2-carboxamide
SMILESCOC1CNC(C(=O)NC(C)CSC)C1
InChIInChI=1S/C10H20N2O2S/c1-7(6-15-3)12-10(13)9-4-8(14-2)5-11-9/h7-9,11H,4-6H2,1-3H3,(H,12,13)
InChIKeyILYYCMSCKATWFH-UHFFFAOYSA-N
MW232.35 g/mol
LogP0.23
Rot. Bonds5

About 4-methoxy-N-(1-methylsulfanylpropan-2-yl)pyrrolidine-2-carboxamide

4-methoxy-N-(1-methylsulfanylpropan-2-yl)pyrrolidine-2-carboxamide (PubChem CID 115753473) has the molecular formula C10H20N2O2S and a molecular weight of 232.35 g/mol. Its IUPAC name is 4-methoxy-N-(1-methylsulfanylpropan-2-yl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name4-methoxy-N-(1-methylsulfanylpropan-2-yl)pyrrolidine-2-carboxamide
PubChem CID115753473
Molecular FormulaC10H20N2O2S
Molecular Weight232.35 g/mol
Exact Mass232.12
IUPAC Name4-methoxy-N-(1-methylsulfanylpropan-2-yl)pyrrolidine-2-carboxamide
SMILESCOC1CNC(C(=O)NC(C)CSC)C1
InChIInChI=1S/C10H20N2O2S/c1-7(6-15-3)12-10(13)9-4-8(14-2)5-11-9/h7-9,11H,4-6H2,1-3H3,(H,12,13)
InChIKeyILYYCMSCKATWFH-UHFFFAOYSA-N
XLogP0.23
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.35
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-ethylsulfanylbutan-2-yl)-4-methoxypyrrolidine-2-carboxamide
CID 115753457
4-methoxy-N-(6-methylheptan-2-yl)pyrrolidine-2-carboxamide
CID 61254446
4-methoxy-N-propan-2-ylpyrrolidine-2-carboxamide
CID 61213428
N-[4-(dimethylamino)butan-2-yl]-4-methoxypyrrolidine-2-carboxamide
CID 54968386
N-(1-cyclopropylethyl)-4-methoxypyrrolidine-2-carboxamide
CID 61213308
4-methoxy-N-(1-morpholin-4-ylpropan-2-yl)pyrrolidine-2-carboxamide
CID 61215056
3-[(4-methoxypyrrolidine-2-carbonyl)amino]-2-methylbutanoic acid
CID 113416438
N-[(1S)-1-cyclopentylethyl]-4-methoxypyrrolidine-2-carboxamide
CID 81389076
propan-2-yl 4-methoxypyrrolidine-2-carboxylate
CID 43628494
(2S,4S)-N,4-dimethoxypyrrolidine-2-carboxamide;hydrochloride
CID 130657923
4-[(4-methoxypyrrolidine-2-carbonyl)amino]-3-methylbutanoic acid
CID 81072617
(2S)-4-hydroxy-2-[(4-methoxypyrrolidine-2-carbonyl)amino]butanoic acid
CID 107825023

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-(1-methylsulfanylpropan-2-yl)pyrrolidine-2-carboxamide?
The IUPAC name of 4-methoxy-N-(1-methylsulfanylpropan-2-yl)pyrrolidine-2-carboxamide (CID 115753473) is 4-methoxy-N-(1-methylsulfanylpropan-2-yl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 4-methoxy-N-(1-methylsulfanylpropan-2-yl)pyrrolidine-2-carboxamide?
The canonical SMILES for 4-methoxy-N-(1-methylsulfanylpropan-2-yl)pyrrolidine-2-carboxamide is COC1CNC(C(=O)NC(C)CSC)C1.
What is the InChIKey of 4-methoxy-N-(1-methylsulfanylpropan-2-yl)pyrrolidine-2-carboxamide?
The InChIKey is ILYYCMSCKATWFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2S/c1-7(6-15-3)12-10(13)9-4-8(14-2)5-11-9/h7-9,11H,4-6H2,1-3H3,(H,12,13).
What are the key properties of 4-methoxy-N-(1-methylsulfanylpropan-2-yl)pyrrolidine-2-carboxamide?
4-methoxy-N-(1-methylsulfanylpropan-2-yl)pyrrolidine-2-carboxamide has a molecular weight of 232.35 g/mol, XLogP of 0.23, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-(1-methylsulfanylpropan-2-yl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 115753473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).