N-(2-hydroxy-2-thiophen-3-ylethyl)-2-methylpyrrolidine-2-carboxamide

C12H18N2O2S — CID 113269287

IUPACN-(2-hydroxy-2-thiophen-3-ylethyl)-2-methylpyrrolidine-2-carboxamide
SMILESCC1(C(=O)NCC(O)c2ccsc2)CCCN1
InChIInChI=1S/C12H18N2O2S/c1-12(4-2-5-14-12)11(16)13-7-10(15)9-3-6-17-8-9/h3,6,8,10,14-15H,2,4-5,7H2,1H3,(H,13,16)
InChIKeyJIZWHLLJVUVZAD-UHFFFAOYSA-N
MW254.35 g/mol
LogP1.04
Rot. Bonds4

About N-(2-hydroxy-2-thiophen-3-ylethyl)-2-methylpyrrolidine-2-carboxamide

N-(2-hydroxy-2-thiophen-3-ylethyl)-2-methylpyrrolidine-2-carboxamide (PubChem CID 113269287) has the molecular formula C12H18N2O2S and a molecular weight of 254.35 g/mol. Its IUPAC name is N-(2-hydroxy-2-thiophen-3-ylethyl)-2-methylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-thiophen-3-ylethyl)-2-methylpyrrolidine-2-carboxamide
PubChem CID113269287
Molecular FormulaC12H18N2O2S
Molecular Weight254.35 g/mol
Exact Mass254.11
IUPAC NameN-(2-hydroxy-2-thiophen-3-ylethyl)-2-methylpyrrolidine-2-carboxamide
SMILESCC1(C(=O)NCC(O)c2ccsc2)CCCN1
InChIInChI=1S/C12H18N2O2S/c1-12(4-2-5-14-12)11(16)13-7-10(15)9-3-6-17-8-9/h3,6,8,10,14-15H,2,4-5,7H2,1H3,(H,13,16)
InChIKeyJIZWHLLJVUVZAD-UHFFFAOYSA-N
XLogP1.04
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.35
LogP ≤ 51.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-amino-N-(2-hydroxy-2-thiophen-3-ylethyl)cyclopentane-1-carboxamide;hydrochloride
CID 119332175
N-(2-hydroxy-2-thiophen-3-ylethyl)-3-propylpiperidine-3-carboxamide
CID 106435467
2,2-dichloro-N-(2-hydroxy-2-thiophen-3-ylethyl)-1-methylcyclopropane-1-carboxamide
CID 111441537
N-[2-(furan-2-yl)-2-hydroxyethyl]-2-methylpyrrolidine-2-carboxamide
CID 110011674
3-amino-N-(2-hydroxy-2-thiophen-3-ylethyl)oxolane-3-carboxamide
CID 106435444
N-(2,3-dihydroxypropyl)-2-methylpyrrolidine-2-carboxamide
CID 66169338
4-(aminomethyl)-N-(2-hydroxy-2-thiophen-3-ylethyl)oxane-4-carboxamide
CID 106435490
N-(2-hydroxy-2-thiophen-3-ylethyl)-2-(methylamino)acetamide
CID 103812170
1-(3-fluorophenyl)-N-(2-hydroxy-2-thiophen-3-ylethyl)cyclobutane-1-carboxamide
CID 111791701
2-methyl-N-[2-oxo-2-(1-phenylethylamino)ethyl]pyrrolidine-2-carboxamide
CID 132850278
3-bromo-N-(2-hydroxy-2-thiophen-3-ylethyl)propanamide
CID 106434930
propan-2-yl N-(2-hydroxy-2-thiophen-3-ylethyl)carbamate
CID 106434937

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-thiophen-3-ylethyl)-2-methylpyrrolidine-2-carboxamide?
The IUPAC name of N-(2-hydroxy-2-thiophen-3-ylethyl)-2-methylpyrrolidine-2-carboxamide (CID 113269287) is N-(2-hydroxy-2-thiophen-3-ylethyl)-2-methylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-(2-hydroxy-2-thiophen-3-ylethyl)-2-methylpyrrolidine-2-carboxamide?
The canonical SMILES for N-(2-hydroxy-2-thiophen-3-ylethyl)-2-methylpyrrolidine-2-carboxamide is CC1(C(=O)NCC(O)c2ccsc2)CCCN1.
What is the InChIKey of N-(2-hydroxy-2-thiophen-3-ylethyl)-2-methylpyrrolidine-2-carboxamide?
The InChIKey is JIZWHLLJVUVZAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2S/c1-12(4-2-5-14-12)11(16)13-7-10(15)9-3-6-17-8-9/h3,6,8,10,14-15H,2,4-5,7H2,1H3,(H,13,16).
What are the key properties of N-(2-hydroxy-2-thiophen-3-ylethyl)-2-methylpyrrolidine-2-carboxamide?
N-(2-hydroxy-2-thiophen-3-ylethyl)-2-methylpyrrolidine-2-carboxamide has a molecular weight of 254.35 g/mol, XLogP of 1.04, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-thiophen-3-ylethyl)-2-methylpyrrolidine-2-carboxamide is sourced from PubChem (CID 113269287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).