(5S)-5-butyl-2-sulfanylideneimidazolidin-4-one

C7H12N2OS — CID 131856782

IUPAC(5S)-5-butyl-2-sulfanylideneimidazolidin-4-one
SMILESCCCC[C@@H]1NC(=S)NC1=O
InChIInChI=1S/C7H12N2OS/c1-2-3-4-5-6(10)9-7(11)8-5/h5H,2-4H2,1H3,(H2,8,9,10,11)/t5-/m0/s1
InChIKeyOUNZMXALNUFHLW-YFKPBYRVSA-N
MW172.25 g/mol
LogP0.55
Rot. Bonds3

About (5S)-5-butyl-2-sulfanylideneimidazolidin-4-one

(5S)-5-butyl-2-sulfanylideneimidazolidin-4-one (PubChem CID 131856782) has the molecular formula C7H12N2OS and a molecular weight of 172.25 g/mol. Its IUPAC name is (5S)-5-butyl-2-sulfanylideneimidazolidin-4-one.

Molecular Properties

Compound Name(5S)-5-butyl-2-sulfanylideneimidazolidin-4-one
PubChem CID131856782
Molecular FormulaC7H12N2OS
Molecular Weight172.25 g/mol
Exact Mass172.07
IUPAC Name(5S)-5-butyl-2-sulfanylideneimidazolidin-4-one
SMILESCCCC[C@@H]1NC(=S)NC1=O
InChIInChI=1S/C7H12N2OS/c1-2-3-4-5-6(10)9-7(11)8-5/h5H,2-4H2,1H3,(H2,8,9,10,11)/t5-/m0/s1
InChIKeyOUNZMXALNUFHLW-YFKPBYRVSA-N
XLogP0.55
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.25
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-(3-methylsulfanylpropyl)-2-sulfanylideneimidazolidin-4-one
CID 103090618
(5R)-5-butylimidazolidine-2,4-dione
CID 51416195
5-(5-aminopentyl)-2-sulfanylideneimidazolidin-4-one
CID 88519630
3-(5-oxo-2-sulfanylideneimidazolidin-4-yl)propanamide
CID 5374221
5-propylimidazolidine-2,4-dione
CID 567619
3-butyl-7-fluoro-3,4-dihydro-1H-quinoxalin-2-one
CID 79290992
methyl 2-[(4S)-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetate
CID 130624280
CID 66970234
CID 66970234
3-(4-aminobutyl)-6-pentylpiperazine-2,5-dione
CID 147838598
N-[1-(5-oxo-2-sulfanylideneimidazolidin-4-yl)octan-3-ylideneamino]pyridine-4-carboxamide
CID 4208994
3-butyl-6-fluoro-7-iodo-3,4-dihydro-1H-quinoxalin-2-one
CID 79291171
10-[3-(5-oxo-2-sulfanylideneimidazolidin-4-yl)propanoyloxy]decyl 2-methylprop-2-enoate
CID 146356521

Frequently Asked Questions

What is the IUPAC name of (5S)-5-butyl-2-sulfanylideneimidazolidin-4-one?
The IUPAC name of (5S)-5-butyl-2-sulfanylideneimidazolidin-4-one (CID 131856782) is (5S)-5-butyl-2-sulfanylideneimidazolidin-4-one.
What is the SMILES notation for (5S)-5-butyl-2-sulfanylideneimidazolidin-4-one?
The canonical SMILES for (5S)-5-butyl-2-sulfanylideneimidazolidin-4-one is CCCC[C@@H]1NC(=S)NC1=O.
What is the InChIKey of (5S)-5-butyl-2-sulfanylideneimidazolidin-4-one?
The InChIKey is OUNZMXALNUFHLW-YFKPBYRVSA-N. The full InChI is InChI=1S/C7H12N2OS/c1-2-3-4-5-6(10)9-7(11)8-5/h5H,2-4H2,1H3,(H2,8,9,10,11)/t5-/m0/s1.
What are the key properties of (5S)-5-butyl-2-sulfanylideneimidazolidin-4-one?
(5S)-5-butyl-2-sulfanylideneimidazolidin-4-one has a molecular weight of 172.25 g/mol, XLogP of 0.55, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-butyl-2-sulfanylideneimidazolidin-4-one is sourced from PubChem (CID 131856782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).