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

C13H18N2O3S — CID 61409119

IUPACN-[3-[2-(hydroxymethyl)pyrrolidin-1-yl]-3-oxopropyl]thiophene-3-carboxamide
SMILESO=C(NCCC(=O)N1CCCC1CO)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)
InChIKeyWWWLBAYHERWYIR-UHFFFAOYSA-N
MW282.36 g/mol
LogP0.85
Rot. Bonds5

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

N-[3-[2-(hydroxymethyl)pyrrolidin-1-yl]-3-oxopropyl]thiophene-3-carboxamide (PubChem CID 61409119) has the molecular formula C13H18N2O3S and a molecular weight of 282.36 g/mol. Its IUPAC name is N-[3-[2-(hydroxymethyl)pyrrolidin-1-yl]-3-oxopropyl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[3-[2-(hydroxymethyl)pyrrolidin-1-yl]-3-oxopropyl]thiophene-3-carboxamide
PubChem CID61409119
Molecular FormulaC13H18N2O3S
Molecular Weight282.36 g/mol
Exact Mass282.10
IUPAC NameN-[3-[2-(hydroxymethyl)pyrrolidin-1-yl]-3-oxopropyl]thiophene-3-carboxamide
SMILESO=C(NCCC(=O)N1CCCC1CO)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)
InChIKeyWWWLBAYHERWYIR-UHFFFAOYSA-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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Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(hydroxymethyl)pyrrolidin-1-yl]-3-oxopropyl]thiophene-3-carboxamide?
The IUPAC name of N-[3-[2-(hydroxymethyl)pyrrolidin-1-yl]-3-oxopropyl]thiophene-3-carboxamide (CID 61409119) is N-[3-[2-(hydroxymethyl)pyrrolidin-1-yl]-3-oxopropyl]thiophene-3-carboxamide.
What is the SMILES notation for N-[3-[2-(hydroxymethyl)pyrrolidin-1-yl]-3-oxopropyl]thiophene-3-carboxamide?
The canonical SMILES for N-[3-[2-(hydroxymethyl)pyrrolidin-1-yl]-3-oxopropyl]thiophene-3-carboxamide is O=C(NCCC(=O)N1CCCC1CO)c1ccsc1.
What is the InChIKey of N-[3-[2-(hydroxymethyl)pyrrolidin-1-yl]-3-oxopropyl]thiophene-3-carboxamide?
The InChIKey is WWWLBAYHERWYIR-UHFFFAOYSA-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).
What are the key properties of N-[3-[2-(hydroxymethyl)pyrrolidin-1-yl]-3-oxopropyl]thiophene-3-carboxamide?
N-[3-[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-[2-(hydroxymethyl)pyrrolidin-1-yl]-3-oxopropyl]thiophene-3-carboxamide is sourced from PubChem (CID 61409119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).