3-(3-phenyl-2-sulfanylideneimidazolidin-1-yl)propanamide

C12H15N3OS — CID 15031687

IUPAC3-(3-phenyl-2-sulfanylideneimidazolidin-1-yl)propanamide
SMILESNC(=O)CCN1CCN(c2ccccc2)C1=S
InChIInChI=1S/C12H15N3OS/c13-11(16)6-7-14-8-9-15(12(14)17)10-4-2-1-3-5-10/h1-5H,6-9H2,(H2,13,16)
InChIKeyGQIGHGZGACHDGP-UHFFFAOYSA-N
MW249.34 g/mol
LogP0.97
Rot. Bonds4

About 3-(3-phenyl-2-sulfanylideneimidazolidin-1-yl)propanamide

3-(3-phenyl-2-sulfanylideneimidazolidin-1-yl)propanamide (PubChem CID 15031687) has the molecular formula C12H15N3OS and a molecular weight of 249.34 g/mol. Its IUPAC name is 3-(3-phenyl-2-sulfanylideneimidazolidin-1-yl)propanamide.

Molecular Properties

Compound Name3-(3-phenyl-2-sulfanylideneimidazolidin-1-yl)propanamide
PubChem CID15031687
Molecular FormulaC12H15N3OS
Molecular Weight249.34 g/mol
Exact Mass249.09
IUPAC Name3-(3-phenyl-2-sulfanylideneimidazolidin-1-yl)propanamide
SMILESNC(=O)CCN1CCN(c2ccccc2)C1=S
InChIInChI=1S/C12H15N3OS/c13-11(16)6-7-14-8-9-15(12(14)17)10-4-2-1-3-5-10/h1-5H,6-9H2,(H2,13,16)
InChIKeyGQIGHGZGACHDGP-UHFFFAOYSA-N
XLogP0.97
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.34
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethane;3-phenyl-2-sulfanylideneimidazolidine-1-carboxamide
CID 143768759
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butanamide;1-phenylpiperidine
CID 174698826
1-[3-[5-[3-(4-chlorophenyl)-2-sulfanylideneimidazolidin-1-yl]pentoxy]phenyl]-1-sulfanylurea
CID 87306524
3-(1,2,3,4-tetrahydro-1,5-benzodiazepin-5-yl)propanamide
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1,4-diphenyl-1,4-diazepane-5,7-dione
CID 13379326
3-(2-oxo-3-phenylimidazolidin-1-yl)propanal
CID 84786113
3-(3,4-dihydro-1H-isoquinolin-2-yl)propanamide
CID 583481
1-butyl-3-(3-phenylmethoxyphenyl)imidazolidine-2-thione
CID 24797907
3-(5-amino-2,3,4,5-tetrahydro-1-benzazepin-1-yl)propanamide
CID 114336013
3-(5-oxo-1-phenyl-2-sulfanylideneimidazolidin-4-yl)propanamide
CID 3034583
3-[4-(2-benzhydryloxyethyl)piperazin-1-yl]propanamide;hydrate;hydrochloride
CID 21152175

Frequently Asked Questions

What is the IUPAC name of 3-(3-phenyl-2-sulfanylideneimidazolidin-1-yl)propanamide?
The IUPAC name of 3-(3-phenyl-2-sulfanylideneimidazolidin-1-yl)propanamide (CID 15031687) is 3-(3-phenyl-2-sulfanylideneimidazolidin-1-yl)propanamide.
What is the SMILES notation for 3-(3-phenyl-2-sulfanylideneimidazolidin-1-yl)propanamide?
The canonical SMILES for 3-(3-phenyl-2-sulfanylideneimidazolidin-1-yl)propanamide is NC(=O)CCN1CCN(c2ccccc2)C1=S.
What is the InChIKey of 3-(3-phenyl-2-sulfanylideneimidazolidin-1-yl)propanamide?
The InChIKey is GQIGHGZGACHDGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3OS/c13-11(16)6-7-14-8-9-15(12(14)17)10-4-2-1-3-5-10/h1-5H,6-9H2,(H2,13,16).
What are the key properties of 3-(3-phenyl-2-sulfanylideneimidazolidin-1-yl)propanamide?
3-(3-phenyl-2-sulfanylideneimidazolidin-1-yl)propanamide has a molecular weight of 249.34 g/mol, XLogP of 0.97, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-phenyl-2-sulfanylideneimidazolidin-1-yl)propanamide is sourced from PubChem (CID 15031687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).