N-cyclohexyl-2-(4-methyl-5-oxo-2-sulfanylideneimidazolidin-1-yl)acetamide

C12H19N3O2S — CID 71882417

IUPACN-cyclohexyl-2-(4-methyl-5-oxo-2-sulfanylideneimidazolidin-1-yl)acetamide
SMILESCC1NC(=S)N(CC(=O)NC2CCCCC2)C1=O
InChIInChI=1S/C12H19N3O2S/c1-8-11(17)15(12(18)13-8)7-10(16)14-9-5-3-2-4-6-9/h8-9H,2-7H2,1H3,(H,13,18)(H,14,16)
InChIKeySVWUSXDNPXLLTA-UHFFFAOYSA-N
MW269.37 g/mol
LogP0.54
Rot. Bonds3

About N-cyclohexyl-2-(4-methyl-5-oxo-2-sulfanylideneimidazolidin-1-yl)acetamide

N-cyclohexyl-2-(4-methyl-5-oxo-2-sulfanylideneimidazolidin-1-yl)acetamide (PubChem CID 71882417) has the molecular formula C12H19N3O2S and a molecular weight of 269.37 g/mol. Its IUPAC name is N-cyclohexyl-2-(4-methyl-5-oxo-2-sulfanylideneimidazolidin-1-yl)acetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-(4-methyl-5-oxo-2-sulfanylideneimidazolidin-1-yl)acetamide
PubChem CID71882417
Molecular FormulaC12H19N3O2S
Molecular Weight269.37 g/mol
Exact Mass269.12
IUPAC NameN-cyclohexyl-2-(4-methyl-5-oxo-2-sulfanylideneimidazolidin-1-yl)acetamide
SMILESCC1NC(=S)N(CC(=O)NC2CCCCC2)C1=O
InChIInChI=1S/C12H19N3O2S/c1-8-11(17)15(12(18)13-8)7-10(16)14-9-5-3-2-4-6-9/h8-9H,2-7H2,1H3,(H,13,18)(H,14,16)
InChIKeySVWUSXDNPXLLTA-UHFFFAOYSA-N
XLogP0.54
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-cyclohexyl-2-(2,6-dimethyl-3,5-dioxothiomorpholin-4-yl)acetamide
CID 5059021
N-cyclohexyl-2-[(2S,6S)-2,6-dimethyl-3,5-dioxothiomorpholin-4-yl]acetamide
CID 2148226
N-cyclohexyl-2-[(2S,6S)-2,6-diethyl-3,5-dioxothiomorpholin-4-yl]acetamide
CID 2148325
N-cyclohexyl-2-(3-methyl-2-oxopiperazin-1-yl)acetamide
CID 63608173
N-cyclohexyl-2-(3-methyl-2-oxo-1,4-diazepan-1-yl)acetamide
CID 63258592
N-cyclooctyl-2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide
CID 2574753
N-cyclohexyl-2-[(4R)-4-methyl-3-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 2439184
N-cyclopentyl-2-(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)acetamide
CID 7975978
N-cyclopentyl-2-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 60623061
N-cycloheptyl-2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)acetamide
CID 51138945
N-cyclohexyl-2-(3-cyclopropyl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 87022438
N-cyclohexyl-2-[(5R,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 2681010

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-(4-methyl-5-oxo-2-sulfanylideneimidazolidin-1-yl)acetamide?
The IUPAC name of N-cyclohexyl-2-(4-methyl-5-oxo-2-sulfanylideneimidazolidin-1-yl)acetamide (CID 71882417) is N-cyclohexyl-2-(4-methyl-5-oxo-2-sulfanylideneimidazolidin-1-yl)acetamide.
What is the SMILES notation for N-cyclohexyl-2-(4-methyl-5-oxo-2-sulfanylideneimidazolidin-1-yl)acetamide?
The canonical SMILES for N-cyclohexyl-2-(4-methyl-5-oxo-2-sulfanylideneimidazolidin-1-yl)acetamide is CC1NC(=S)N(CC(=O)NC2CCCCC2)C1=O.
What is the InChIKey of N-cyclohexyl-2-(4-methyl-5-oxo-2-sulfanylideneimidazolidin-1-yl)acetamide?
The InChIKey is SVWUSXDNPXLLTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2S/c1-8-11(17)15(12(18)13-8)7-10(16)14-9-5-3-2-4-6-9/h8-9H,2-7H2,1H3,(H,13,18)(H,14,16).
What are the key properties of N-cyclohexyl-2-(4-methyl-5-oxo-2-sulfanylideneimidazolidin-1-yl)acetamide?
N-cyclohexyl-2-(4-methyl-5-oxo-2-sulfanylideneimidazolidin-1-yl)acetamide has a molecular weight of 269.37 g/mol, XLogP of 0.54, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-(4-methyl-5-oxo-2-sulfanylideneimidazolidin-1-yl)acetamide is sourced from PubChem (CID 71882417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).