3-[(4S)-2,5-dioxoimidazolidin-4-yl]-N-(thiophen-3-ylmethyl)propanamide

C11H13N3O3S — CID 131938710

IUPAC3-[(4S)-2,5-dioxoimidazolidin-4-yl]-N-(thiophen-3-ylmethyl)propanamide
SMILESO=C(CC[C@@H]1NC(=O)NC1=O)NCc1ccsc1
InChIInChI=1S/C11H13N3O3S/c15-9(12-5-7-3-4-18-6-7)2-1-8-10(16)14-11(17)13-8/h3-4,6,8H,1-2,5H2,(H,12,15)(H2,13,14,16,17)/t8-/m0/s1
InChIKeyKUGXDBHIUHLINJ-QMMMGPOBSA-N
MW267.31 g/mol
LogP0.35
Rot. Bonds5

About 3-[(4S)-2,5-dioxoimidazolidin-4-yl]-N-(thiophen-3-ylmethyl)propanamide

3-[(4S)-2,5-dioxoimidazolidin-4-yl]-N-(thiophen-3-ylmethyl)propanamide (PubChem CID 131938710) has the molecular formula C11H13N3O3S and a molecular weight of 267.31 g/mol. Its IUPAC name is 3-[(4S)-2,5-dioxoimidazolidin-4-yl]-N-(thiophen-3-ylmethyl)propanamide.

Molecular Properties

Compound Name3-[(4S)-2,5-dioxoimidazolidin-4-yl]-N-(thiophen-3-ylmethyl)propanamide
PubChem CID131938710
Molecular FormulaC11H13N3O3S
Molecular Weight267.31 g/mol
Exact Mass267.07
IUPAC Name3-[(4S)-2,5-dioxoimidazolidin-4-yl]-N-(thiophen-3-ylmethyl)propanamide
SMILESO=C(CC[C@@H]1NC(=O)NC1=O)NCc1ccsc1
InChIInChI=1S/C11H13N3O3S/c15-9(12-5-7-3-4-18-6-7)2-1-8-10(16)14-11(17)13-8/h3-4,6,8H,1-2,5H2,(H,12,15)(H2,13,14,16,17)/t8-/m0/s1
InChIKeyKUGXDBHIUHLINJ-QMMMGPOBSA-N
XLogP0.35
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.31
LogP ≤ 50.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[(4S)-2,5-dioxoimidazolidin-4-yl]-N-(thiophen-3-ylmethyl)propanamide?
The IUPAC name of 3-[(4S)-2,5-dioxoimidazolidin-4-yl]-N-(thiophen-3-ylmethyl)propanamide (CID 131938710) is 3-[(4S)-2,5-dioxoimidazolidin-4-yl]-N-(thiophen-3-ylmethyl)propanamide.
What is the SMILES notation for 3-[(4S)-2,5-dioxoimidazolidin-4-yl]-N-(thiophen-3-ylmethyl)propanamide?
The canonical SMILES for 3-[(4S)-2,5-dioxoimidazolidin-4-yl]-N-(thiophen-3-ylmethyl)propanamide is O=C(CC[C@@H]1NC(=O)NC1=O)NCc1ccsc1.
What is the InChIKey of 3-[(4S)-2,5-dioxoimidazolidin-4-yl]-N-(thiophen-3-ylmethyl)propanamide?
The InChIKey is KUGXDBHIUHLINJ-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H13N3O3S/c15-9(12-5-7-3-4-18-6-7)2-1-8-10(16)14-11(17)13-8/h3-4,6,8H,1-2,5H2,(H,12,15)(H2,13,14,16,17)/t8-/m0/s1.
What are the key properties of 3-[(4S)-2,5-dioxoimidazolidin-4-yl]-N-(thiophen-3-ylmethyl)propanamide?
3-[(4S)-2,5-dioxoimidazolidin-4-yl]-N-(thiophen-3-ylmethyl)propanamide has a molecular weight of 267.31 g/mol, XLogP of 0.35, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4S)-2,5-dioxoimidazolidin-4-yl]-N-(thiophen-3-ylmethyl)propanamide is sourced from PubChem (CID 131938710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).