1-[(3S)-1-methyl-5-oxopyrrolidin-3-yl]-3-thiophen-2-ylurea

C10H13N3O2S — CID 95985113

IUPAC1-[(3S)-1-methyl-5-oxopyrrolidin-3-yl]-3-thiophen-2-ylurea
SMILESCN1C[C@@H](NC(=O)Nc2cccs2)CC1=O
InChIInChI=1S/C10H13N3O2S/c1-13-6-7(5-9(13)14)11-10(15)12-8-3-2-4-16-8/h2-4,7H,5-6H2,1H3,(H2,11,12,15)/t7-/m0/s1
InChIKeyWGBJGWBTRGXSEW-ZETCQYMHSA-N
MW239.30 g/mol
LogP1.10
Rot. Bonds2

About 1-[(3S)-1-methyl-5-oxopyrrolidin-3-yl]-3-thiophen-2-ylurea

1-[(3S)-1-methyl-5-oxopyrrolidin-3-yl]-3-thiophen-2-ylurea (PubChem CID 95985113) has the molecular formula C10H13N3O2S and a molecular weight of 239.30 g/mol. Its IUPAC name is 1-[(3S)-1-methyl-5-oxopyrrolidin-3-yl]-3-thiophen-2-ylurea.

Molecular Properties

Compound Name1-[(3S)-1-methyl-5-oxopyrrolidin-3-yl]-3-thiophen-2-ylurea
PubChem CID95985113
Molecular FormulaC10H13N3O2S
Molecular Weight239.30 g/mol
Exact Mass239.07
IUPAC Name1-[(3S)-1-methyl-5-oxopyrrolidin-3-yl]-3-thiophen-2-ylurea
SMILESCN1C[C@@H](NC(=O)Nc2cccs2)CC1=O
InChIInChI=1S/C10H13N3O2S/c1-13-6-7(5-9(13)14)11-10(15)12-8-3-2-4-16-8/h2-4,7H,5-6H2,1H3,(H2,11,12,15)/t7-/m0/s1
InChIKeyWGBJGWBTRGXSEW-ZETCQYMHSA-N
XLogP1.10
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.30
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-1-methyl-5-oxopyrrolidin-3-yl]-3-thiophen-2-ylurea?
The IUPAC name of 1-[(3S)-1-methyl-5-oxopyrrolidin-3-yl]-3-thiophen-2-ylurea (CID 95985113) is 1-[(3S)-1-methyl-5-oxopyrrolidin-3-yl]-3-thiophen-2-ylurea.
What is the SMILES notation for 1-[(3S)-1-methyl-5-oxopyrrolidin-3-yl]-3-thiophen-2-ylurea?
The canonical SMILES for 1-[(3S)-1-methyl-5-oxopyrrolidin-3-yl]-3-thiophen-2-ylurea is CN1C[C@@H](NC(=O)Nc2cccs2)CC1=O.
What is the InChIKey of 1-[(3S)-1-methyl-5-oxopyrrolidin-3-yl]-3-thiophen-2-ylurea?
The InChIKey is WGBJGWBTRGXSEW-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H13N3O2S/c1-13-6-7(5-9(13)14)11-10(15)12-8-3-2-4-16-8/h2-4,7H,5-6H2,1H3,(H2,11,12,15)/t7-/m0/s1.
What are the key properties of 1-[(3S)-1-methyl-5-oxopyrrolidin-3-yl]-3-thiophen-2-ylurea?
1-[(3S)-1-methyl-5-oxopyrrolidin-3-yl]-3-thiophen-2-ylurea has a molecular weight of 239.30 g/mol, XLogP of 1.10, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-1-methyl-5-oxopyrrolidin-3-yl]-3-thiophen-2-ylurea is sourced from PubChem (CID 95985113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).