N-[3-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-3-oxopropyl]thiophene-3-carboxamide

C13H18N2O3S — CID 79028955

IUPACN-[3-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-3-oxopropyl]thiophene-3-carboxamide
SMILESO=C(NCCC(=O)N1CCC[C@@H]1CO)c1ccsc1
InChIInChI=1S/C13H18N2O3S/c16-8-11-2-1-6-15(11)12(17)3-5-14-13(18)10-4-7-19-9-10/h4,7,9,11,16H,1-3,5-6,8H2,(H,14,18)/t11-/m1/s1
InChIKeyWWWLBAYHERWYIR-LLVKDONJSA-N
MW282.36 g/mol
LogP0.85
Rot. Bonds5

About N-[3-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-3-oxopropyl]thiophene-3-carboxamide

N-[3-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-3-oxopropyl]thiophene-3-carboxamide (PubChem CID 79028955) has the molecular formula C13H18N2O3S and a molecular weight of 282.36 g/mol. Its IUPAC name is N-[3-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-3-oxopropyl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[3-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-3-oxopropyl]thiophene-3-carboxamide
PubChem CID79028955
Molecular FormulaC13H18N2O3S
Molecular Weight282.36 g/mol
Exact Mass282.10
IUPAC NameN-[3-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-3-oxopropyl]thiophene-3-carboxamide
SMILESO=C(NCCC(=O)N1CCC[C@@H]1CO)c1ccsc1
InChIInChI=1S/C13H18N2O3S/c16-8-11-2-1-6-15(11)12(17)3-5-14-13(18)10-4-7-19-9-10/h4,7,9,11,16H,1-3,5-6,8H2,(H,14,18)/t11-/m1/s1
InChIKeyWWWLBAYHERWYIR-LLVKDONJSA-N
XLogP0.85
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.36
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[2-(hydroxymethyl)piperidin-1-yl]-3-oxopropyl]thiophene-3-carboxamide
CID 43421341
N-[3-[2-(methylaminomethyl)pyrrolidin-1-yl]-3-oxopropyl]thiophene-3-carboxamide;hydrochloride
CID 119651026
N-[3-[2-(aminomethyl)piperidin-1-yl]-3-oxopropyl]thiophene-3-carboxamide;hydrochloride
CID 119468600
1-[3-(thiophene-3-carbonylamino)propanoyl]pyrrolidine-2-carboxylic acid
CID 43355708
(2R)-1-[3-(thiophene-3-carbonylamino)propanoyl]piperidine-2-carboxylic acid
CID 79035340
N-[3-[2-[(3-aminopropanoylamino)methyl]piperidin-1-yl]-3-oxopropyl]thiophene-3-carboxamide
CID 120578831
N-[4-[2-(methylaminomethyl)pyrrolidin-1-yl]-4-oxobutyl]thiophene-3-carboxamide;hydrochloride
CID 119649653
N-[3-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-3-oxopropyl]thiophene-3-carboxamide
CID 102738090
N-[3-[3-(hydroxymethyl)pyrrolidin-1-yl]-3-oxopropyl]thiophene-3-carboxamide
CID 62370593
N-(3-oxo-3-piperazin-1-ylpropyl)thiophene-3-carboxamide
CID 119402669
N-[3-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-3-oxopropyl]thiophene-3-carboxamide
CID 55389045
N-[4-[3-(hydroxymethyl)piperidin-1-yl]-4-oxobutyl]thiophene-3-carboxamide
CID 110886904

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-3-oxopropyl]thiophene-3-carboxamide?
The IUPAC name of N-[3-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-3-oxopropyl]thiophene-3-carboxamide (CID 79028955) is N-[3-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-3-oxopropyl]thiophene-3-carboxamide.
What is the SMILES notation for N-[3-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-3-oxopropyl]thiophene-3-carboxamide?
The canonical SMILES for N-[3-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-3-oxopropyl]thiophene-3-carboxamide is O=C(NCCC(=O)N1CCC[C@@H]1CO)c1ccsc1.
What is the InChIKey of N-[3-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-3-oxopropyl]thiophene-3-carboxamide?
The InChIKey is WWWLBAYHERWYIR-LLVKDONJSA-N. The full InChI is InChI=1S/C13H18N2O3S/c16-8-11-2-1-6-15(11)12(17)3-5-14-13(18)10-4-7-19-9-10/h4,7,9,11,16H,1-3,5-6,8H2,(H,14,18)/t11-/m1/s1.
What are the key properties of N-[3-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-3-oxopropyl]thiophene-3-carboxamide?
N-[3-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-3-oxopropyl]thiophene-3-carboxamide has a molecular weight of 282.36 g/mol, XLogP of 0.85, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-3-oxopropyl]thiophene-3-carboxamide is sourced from PubChem (CID 79028955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).