4-(aminosulfanylmethyl)-5-methylimidazolidin-2-one

C5H11N3OS — CID 163839041

IUPAC4-(aminosulfanylmethyl)-5-methylimidazolidin-2-one
SMILESCC1NC(=O)NC1CSN
InChIInChI=1S/C5H11N3OS/c1-3-4(2-10-6)8-5(9)7-3/h3-4H,2,6H2,1H3,(H2,7,8,9)
InChIKeyOKHGBEMUHHEHCC-UHFFFAOYSA-N
MW161.23 g/mol
LogP-0.34
Rot. Bonds2

About 4-(aminosulfanylmethyl)-5-methylimidazolidin-2-one

4-(aminosulfanylmethyl)-5-methylimidazolidin-2-one (PubChem CID 163839041) has the molecular formula C5H11N3OS and a molecular weight of 161.23 g/mol. Its IUPAC name is 4-(aminosulfanylmethyl)-5-methylimidazolidin-2-one.

Molecular Properties

Compound Name4-(aminosulfanylmethyl)-5-methylimidazolidin-2-one
PubChem CID163839041
Molecular FormulaC5H11N3OS
Molecular Weight161.23 g/mol
Exact Mass161.06
IUPAC Name4-(aminosulfanylmethyl)-5-methylimidazolidin-2-one
SMILESCC1NC(=O)NC1CSN
InChIInChI=1S/C5H11N3OS/c1-3-4(2-10-6)8-5(9)7-3/h3-4H,2,6H2,1H3,(H2,7,8,9)
InChIKeyOKHGBEMUHHEHCC-UHFFFAOYSA-N
XLogP-0.34
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.23
LogP ≤ 5-0.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-ethyl-5-methylimidazolidin-2-one
CID 22042260
(4S,5S)-4-(methoxymethyl)-5-methylimidazolidin-2-one
CID 134483812
4-hexyl-5-methylimidazolidin-2-one
CID 85446060
5-[(4S,5S)-5-methyl-2-oxoimidazolidin-4-yl]pentanoic acid
CID 2054868
4-methyl-5-(2,2,3,3-tetramethyl-4-oxopentyl)imidazolidin-2-one
CID 167227909
4-methyl-5-(6-oxoheptyl)imidazolidin-2-one
CID 155283579
6-(5-methyl-2-oxoimidazolidin-4-yl)hexanoate
CID 25244917
methyl 5-(5-methyl-2-oxoimidazolidin-4-yl)pentanoate
CID 101336229
4-iodo-5-methylimidazolidin-2-one
CID 147926542
3-[(2R,3S)-3-[[(4R,5S)-5-methyl-2-oxoimidazolidin-4-yl]methyl]oxiran-2-yl]propanoic acid
CID 10633100
4-[2-[3-(2-aminoethyl)-1H-indol-5-yl]ethyl]-5-methylimidazolidin-2-one
CID 56989453
CID 73212702
CID 73212702

Frequently Asked Questions

What is the IUPAC name of 4-(aminosulfanylmethyl)-5-methylimidazolidin-2-one?
The IUPAC name of 4-(aminosulfanylmethyl)-5-methylimidazolidin-2-one (CID 163839041) is 4-(aminosulfanylmethyl)-5-methylimidazolidin-2-one.
What is the SMILES notation for 4-(aminosulfanylmethyl)-5-methylimidazolidin-2-one?
The canonical SMILES for 4-(aminosulfanylmethyl)-5-methylimidazolidin-2-one is CC1NC(=O)NC1CSN.
What is the InChIKey of 4-(aminosulfanylmethyl)-5-methylimidazolidin-2-one?
The InChIKey is OKHGBEMUHHEHCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N3OS/c1-3-4(2-10-6)8-5(9)7-3/h3-4H,2,6H2,1H3,(H2,7,8,9).
What are the key properties of 4-(aminosulfanylmethyl)-5-methylimidazolidin-2-one?
4-(aminosulfanylmethyl)-5-methylimidazolidin-2-one has a molecular weight of 161.23 g/mol, XLogP of -0.34, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminosulfanylmethyl)-5-methylimidazolidin-2-one is sourced from PubChem (CID 163839041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).