N-(2-amino-2-sulfanylideneethyl)-N'-methyl-N'-(4-methylcyclohexyl)oxamide

C12H21N3O2S — CID 61437710

IUPACN-(2-amino-2-sulfanylideneethyl)-N'-methyl-N'-(4-methylcyclohexyl)oxamide
SMILESCC1CCC(N(C)C(=O)C(=O)NCC(N)=S)CC1
InChIInChI=1S/C12H21N3O2S/c1-8-3-5-9(6-4-8)15(2)12(17)11(16)14-7-10(13)18/h8-9H,3-7H2,1-2H3,(H2,13,18)(H,14,16)
InChIKeyGYUIJBXNKMACCT-UHFFFAOYSA-N
MW271.39 g/mol
LogP0.43
Rot. Bonds3

About N-(2-amino-2-sulfanylideneethyl)-N'-methyl-N'-(4-methylcyclohexyl)oxamide

N-(2-amino-2-sulfanylideneethyl)-N'-methyl-N'-(4-methylcyclohexyl)oxamide (PubChem CID 61437710) has the molecular formula C12H21N3O2S and a molecular weight of 271.39 g/mol. Its IUPAC name is N-(2-amino-2-sulfanylideneethyl)-N'-methyl-N'-(4-methylcyclohexyl)oxamide.

Molecular Properties

Compound NameN-(2-amino-2-sulfanylideneethyl)-N'-methyl-N'-(4-methylcyclohexyl)oxamide
PubChem CID61437710
Molecular FormulaC12H21N3O2S
Molecular Weight271.39 g/mol
Exact Mass271.14
IUPAC NameN-(2-amino-2-sulfanylideneethyl)-N'-methyl-N'-(4-methylcyclohexyl)oxamide
SMILESCC1CCC(N(C)C(=O)C(=O)NCC(N)=S)CC1
InChIInChI=1S/C12H21N3O2S/c1-8-3-5-9(6-4-8)15(2)12(17)11(16)14-7-10(13)18/h8-9H,3-7H2,1-2H3,(H2,13,18)(H,14,16)
InChIKeyGYUIJBXNKMACCT-UHFFFAOYSA-N
XLogP0.43
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.39
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-amino-2-sulfanylideneethyl)-N'-cyclopentyl-N'-methyloxamide
CID 43316466
2-hydrazinyl-N-methyl-N-(4-methylcyclohexyl)-2-oxoacetamide
CID 61439009
N-(cyanomethyl)-N'-cyclopropyl-N'-methyloxamide
CID 43316269
N-methyl-N-(4-methylcyclohexyl)-3-oxobutanamide
CID 18073230
N-cyclopropyl-N-methyl-2-[(4-methylcyclohexyl)methylamino]acetamide
CID 55173315
2-(cyclopropylmethylamino)-N-methyl-N-(4-methylcyclohexyl)acetamide;hydrochloride
CID 119689921
methyl 2-[[2-[(2-amino-2-sulfanylideneethyl)amino]-2-oxoacetyl]-(2-methoxy-2-oxoethyl)amino]acetate
CID 62955740
2-iodo-N-methyl-N-(4-methylcyclohexyl)acetamide
CID 64786622
N-(2-chloroethyl)-N'-cyclohexyl-N'-methyloxamide
CID 108503671
N-(2-amino-2-sulfanylideneethyl)-N'-[2-(cyclopropylamino)-2-oxoethyl]oxamide
CID 43568518
N-(2-amino-2-sulfanylideneethyl)-N'-methyl-N'-(1-methylsulfanylbutan-2-yl)oxamide
CID 112659642
N'-(2-amino-2-sulfanylideneethyl)-N-[3-(dimethylamino)propyl]oxamide
CID 43316357

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-sulfanylideneethyl)-N'-methyl-N'-(4-methylcyclohexyl)oxamide?
The IUPAC name of N-(2-amino-2-sulfanylideneethyl)-N'-methyl-N'-(4-methylcyclohexyl)oxamide (CID 61437710) is N-(2-amino-2-sulfanylideneethyl)-N'-methyl-N'-(4-methylcyclohexyl)oxamide.
What is the SMILES notation for N-(2-amino-2-sulfanylideneethyl)-N'-methyl-N'-(4-methylcyclohexyl)oxamide?
The canonical SMILES for N-(2-amino-2-sulfanylideneethyl)-N'-methyl-N'-(4-methylcyclohexyl)oxamide is CC1CCC(N(C)C(=O)C(=O)NCC(N)=S)CC1.
What is the InChIKey of N-(2-amino-2-sulfanylideneethyl)-N'-methyl-N'-(4-methylcyclohexyl)oxamide?
The InChIKey is GYUIJBXNKMACCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2S/c1-8-3-5-9(6-4-8)15(2)12(17)11(16)14-7-10(13)18/h8-9H,3-7H2,1-2H3,(H2,13,18)(H,14,16).
What are the key properties of N-(2-amino-2-sulfanylideneethyl)-N'-methyl-N'-(4-methylcyclohexyl)oxamide?
N-(2-amino-2-sulfanylideneethyl)-N'-methyl-N'-(4-methylcyclohexyl)oxamide has a molecular weight of 271.39 g/mol, XLogP of 0.43, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-sulfanylideneethyl)-N'-methyl-N'-(4-methylcyclohexyl)oxamide is sourced from PubChem (CID 61437710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).