N-[1-(5-oxo-2-sulfanylideneimidazolidin-4-yl)butyl]acetamide

C9H15N3O2S — CID 21159813

IUPACN-[1-(5-oxo-2-sulfanylideneimidazolidin-4-yl)butyl]acetamide
SMILESCCCC(NC(C)=O)C1NC(=S)NC1=O
InChIInChI=1S/C9H15N3O2S/c1-3-4-6(10-5(2)13)7-8(14)12-9(15)11-7/h6-7H,3-4H2,1-2H3,(H,10,13)(H2,11,12,14,15)
InChIKeyXKWNGPVHOQRUPE-UHFFFAOYSA-N
MW229.30 g/mol
LogP-0.34
Rot. Bonds4

About N-[1-(5-oxo-2-sulfanylideneimidazolidin-4-yl)butyl]acetamide

N-[1-(5-oxo-2-sulfanylideneimidazolidin-4-yl)butyl]acetamide (PubChem CID 21159813) has the molecular formula C9H15N3O2S and a molecular weight of 229.30 g/mol. Its IUPAC name is N-[1-(5-oxo-2-sulfanylideneimidazolidin-4-yl)butyl]acetamide.

Molecular Properties

Compound NameN-[1-(5-oxo-2-sulfanylideneimidazolidin-4-yl)butyl]acetamide
PubChem CID21159813
Molecular FormulaC9H15N3O2S
Molecular Weight229.30 g/mol
Exact Mass229.09
IUPAC NameN-[1-(5-oxo-2-sulfanylideneimidazolidin-4-yl)butyl]acetamide
SMILESCCCC(NC(C)=O)C1NC(=S)NC1=O
InChIInChI=1S/C9H15N3O2S/c1-3-4-6(10-5(2)13)7-8(14)12-9(15)11-7/h6-7H,3-4H2,1-2H3,(H,10,13)(H2,11,12,14,15)
InChIKeyXKWNGPVHOQRUPE-UHFFFAOYSA-N
XLogP-0.34
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.30
LogP ≤ 5-0.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-Cyclohexyl-5-methyl-2-sulfanylideneimidazolidin-4-one
CID 2901363
3-Cyclohexyl-5-propyl-2-thioxo-imidazolidin-4-one
CID 3144190
3-Cyclohexyl-5-ethyl-2-thioxoimidazolidin-4-one
CID 3144188
5-Butyl-3-cyclohexyl-2-thioxoimidazolidin-4-one
CID 5160429
5-Heptyl-2-thioxo-imidazolidin-4-one
CID 3002030
Hydantoin, 3-(3-(dimethylamino)propyl)-5-isobutyl-2-thio-
CID 3070457
Hydantoin, 5-sec-butyl-3-(3-(dimethylamino)propyl)-2-thio-
CID 3070458
Hydantoin, 3-(3-(diethylamino)propyl)-5-isobutyl-2-thio-
CID 3070461
Hydantoin, 5-sec-butyl-3-(3-(diethylamino)propyl)-2-thio-
CID 3070462
(5S)-5-(4-aminobutyl)-2-sulfanylideneimidazolidin-4-one
CID 14775823
(5S)-1-acetyl-5-(4-aminobutyl)-2-sulfanylideneimidazolidin-4-one
CID 56949626
(5S)-1-acetyl-5-(2-methylpropyl)-2-sulfanylideneimidazolidin-4-one
CID 56951615

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-oxo-2-sulfanylideneimidazolidin-4-yl)butyl]acetamide?
The IUPAC name of N-[1-(5-oxo-2-sulfanylideneimidazolidin-4-yl)butyl]acetamide (CID 21159813) is N-[1-(5-oxo-2-sulfanylideneimidazolidin-4-yl)butyl]acetamide.
What is the SMILES notation for N-[1-(5-oxo-2-sulfanylideneimidazolidin-4-yl)butyl]acetamide?
The canonical SMILES for N-[1-(5-oxo-2-sulfanylideneimidazolidin-4-yl)butyl]acetamide is CCCC(NC(C)=O)C1NC(=S)NC1=O.
What is the InChIKey of N-[1-(5-oxo-2-sulfanylideneimidazolidin-4-yl)butyl]acetamide?
The InChIKey is XKWNGPVHOQRUPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2S/c1-3-4-6(10-5(2)13)7-8(14)12-9(15)11-7/h6-7H,3-4H2,1-2H3,(H,10,13)(H2,11,12,14,15).
What are the key properties of N-[1-(5-oxo-2-sulfanylideneimidazolidin-4-yl)butyl]acetamide?
N-[1-(5-oxo-2-sulfanylideneimidazolidin-4-yl)butyl]acetamide has a molecular weight of 229.30 g/mol, XLogP of -0.34, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-oxo-2-sulfanylideneimidazolidin-4-yl)butyl]acetamide is sourced from PubChem (CID 21159813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).