N-(2-amino-2-sulfanylideneethyl)-N'-(3-ethylcyclohexyl)oxamide

C12H21N3O2S — CID 64748437

IUPACN-(2-amino-2-sulfanylideneethyl)-N'-(3-ethylcyclohexyl)oxamide
SMILESCCC1CCCC(NC(=O)C(=O)NCC(N)=S)C1
InChIInChI=1S/C12H21N3O2S/c1-2-8-4-3-5-9(6-8)15-12(17)11(16)14-7-10(13)18/h8-9H,2-7H2,1H3,(H2,13,18)(H,14,16)(H,15,17)
InChIKeySSJMKNMGADFRIX-UHFFFAOYSA-N
MW271.39 g/mol
LogP0.47
Rot. Bonds4

About N-(2-amino-2-sulfanylideneethyl)-N'-(3-ethylcyclohexyl)oxamide

N-(2-amino-2-sulfanylideneethyl)-N'-(3-ethylcyclohexyl)oxamide (PubChem CID 64748437) has the molecular formula C12H21N3O2S and a molecular weight of 271.39 g/mol. Its IUPAC name is N-(2-amino-2-sulfanylideneethyl)-N'-(3-ethylcyclohexyl)oxamide.

Molecular Properties

Compound NameN-(2-amino-2-sulfanylideneethyl)-N'-(3-ethylcyclohexyl)oxamide
PubChem CID64748437
Molecular FormulaC12H21N3O2S
Molecular Weight271.39 g/mol
Exact Mass271.14
IUPAC NameN-(2-amino-2-sulfanylideneethyl)-N'-(3-ethylcyclohexyl)oxamide
SMILESCCC1CCCC(NC(=O)C(=O)NCC(N)=S)C1
InChIInChI=1S/C12H21N3O2S/c1-2-8-4-3-5-9(6-8)15-12(17)11(16)14-7-10(13)18/h8-9H,2-7H2,1H3,(H2,13,18)(H,14,16)(H,15,17)
InChIKeySSJMKNMGADFRIX-UHFFFAOYSA-N
XLogP0.47
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.39
LogP ≤ 50.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(2-amino-2-sulfanylideneethyl)-N'-(3-ethylcyclohexyl)oxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-amino-2-sulfanylideneethyl)-N'-(1-methylpyrrolidin-3-yl)oxamide
CID 61465417
N-(2-amino-2-sulfanylideneethyl)-N'-(2-methylsulfanylcyclopentyl)oxamide
CID 114121578
3-amino-N-(3-ethylcyclohexyl)-2-phenyl-3-sulfanylidenepropanamide
CID 64748044
N-(2-amino-2-sulfanylideneethyl)-N'-[2-(cyclopropylamino)-2-oxoethyl]oxamide
CID 43568518
3-amino-N-(3-ethylcyclohexyl)-3-methylbutanamide
CID 64747634
1-butyl-3-(3-ethylcyclohexyl)thiourea
CID 115643645
2-amino-N-(3-ethylcyclohexyl)-4-methylpentanamide
CID 64750376
2-amino-N-(3-ethylcyclohexyl)pentanamide;hydrochloride
CID 119329059
1-[(1S,3R)-3-ethylcyclohexyl]-3-[[(3S)-3-hydroxythiolan-3-yl]methyl]urea
CID 100873888
4-chloro-N-(3-ethylcyclohexyl)butanamide
CID 64748225
N-(2-amino-2-sulfanylideneethyl)-N'-(2-hydroxycycloheptyl)oxamide
CID 113394784
2-cyclopentyl-1-(3-ethylcyclohexyl)guanidine
CID 64750200

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-sulfanylideneethyl)-N'-(3-ethylcyclohexyl)oxamide?
The IUPAC name of N-(2-amino-2-sulfanylideneethyl)-N'-(3-ethylcyclohexyl)oxamide (CID 64748437) is N-(2-amino-2-sulfanylideneethyl)-N'-(3-ethylcyclohexyl)oxamide.
What is the SMILES notation for N-(2-amino-2-sulfanylideneethyl)-N'-(3-ethylcyclohexyl)oxamide?
The canonical SMILES for N-(2-amino-2-sulfanylideneethyl)-N'-(3-ethylcyclohexyl)oxamide is CCC1CCCC(NC(=O)C(=O)NCC(N)=S)C1.
What is the InChIKey of N-(2-amino-2-sulfanylideneethyl)-N'-(3-ethylcyclohexyl)oxamide?
The InChIKey is SSJMKNMGADFRIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2S/c1-2-8-4-3-5-9(6-8)15-12(17)11(16)14-7-10(13)18/h8-9H,2-7H2,1H3,(H2,13,18)(H,14,16)(H,15,17).
What are the key properties of N-(2-amino-2-sulfanylideneethyl)-N'-(3-ethylcyclohexyl)oxamide?
N-(2-amino-2-sulfanylideneethyl)-N'-(3-ethylcyclohexyl)oxamide has a molecular weight of 271.39 g/mol, XLogP of 0.47, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-sulfanylideneethyl)-N'-(3-ethylcyclohexyl)oxamide is sourced from PubChem (CID 64748437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).