N-(2-amino-2-sulfanylideneethyl)-N'-methyl-N'-(1-methylsulfanylbutan-2-yl)oxamide

C10H19N3O2S2 — CID 112659642

IUPACN-(2-amino-2-sulfanylideneethyl)-N'-methyl-N'-(1-methylsulfanylbutan-2-yl)oxamide
SMILESCCC(CSC)N(C)C(=O)C(=O)NCC(N)=S
InChIInChI=1S/C10H19N3O2S2/c1-4-7(6-17-3)13(2)10(15)9(14)12-5-8(11)16/h7H,4-6H2,1-3H3,(H2,11,16)(H,12,14)
InChIKeyXBDMWXDQPRBBIP-UHFFFAOYSA-N
MW277.42 g/mol
LogP-0.01
Rot. Bonds6

About N-(2-amino-2-sulfanylideneethyl)-N'-methyl-N'-(1-methylsulfanylbutan-2-yl)oxamide

N-(2-amino-2-sulfanylideneethyl)-N'-methyl-N'-(1-methylsulfanylbutan-2-yl)oxamide (PubChem CID 112659642) has the molecular formula C10H19N3O2S2 and a molecular weight of 277.42 g/mol. Its IUPAC name is N-(2-amino-2-sulfanylideneethyl)-N'-methyl-N'-(1-methylsulfanylbutan-2-yl)oxamide.

Molecular Properties

Compound NameN-(2-amino-2-sulfanylideneethyl)-N'-methyl-N'-(1-methylsulfanylbutan-2-yl)oxamide
PubChem CID112659642
Molecular FormulaC10H19N3O2S2
Molecular Weight277.42 g/mol
Exact Mass277.09
IUPAC NameN-(2-amino-2-sulfanylideneethyl)-N'-methyl-N'-(1-methylsulfanylbutan-2-yl)oxamide
SMILESCCC(CSC)N(C)C(=O)C(=O)NCC(N)=S
InChIInChI=1S/C10H19N3O2S2/c1-4-7(6-17-3)13(2)10(15)9(14)12-5-8(11)16/h7H,4-6H2,1-3H3,(H2,11,16)(H,12,14)
InChIKeyXBDMWXDQPRBBIP-UHFFFAOYSA-N
XLogP-0.01
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.42
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

2-[methyl(1-methylsulfanylbutan-2-yl)amino]-2-oxoacetic acid
CID 112663253
4-carbamothioyl-N-methyl-N-(1-methylsulfanylbutan-2-yl)benzamide
CID 112659645
2-carbamothioyl-N,2-dimethyl-N-(1-methylsulfanylbutan-2-yl)butanamide
CID 112659636
N-(2-amino-2-sulfanylideneethyl)-N'-ethyl-N'-(2-ethylbutyl)oxamide
CID 61437859
N-(2-aminoethyl)-N'-methyl-N'-pentan-3-yloxamide
CID 43570583
methyl N-methyl-N-(1-methylsulfanylbutan-2-yl)carbamate
CID 115898188
2-[methyl(1-methylsulfanylbutan-2-yl)amino]butanethioamide
CID 112659869
N-(2-amino-2-sulfanylideneethyl)-N'-ethyl-N'-propyloxamide
CID 43316467
3-amino-N-methyl-N-pentan-3-yl-3-sulfanylidenepropanamide
CID 43571357
1-carbamothioyl-N,3-dimethyl-N-(1-methylsulfanylbutan-2-yl)cyclobutane-1-carboxamide
CID 112659640
N-(2-amino-2-sulfanylideneethyl)-N'-(2-methylpropyl)-N'-propan-2-yloxamide
CID 55000877
1,1-diethyl-3-methyl-3-(1-methylsulfanylbutan-2-yl)urea
CID 115897760

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-sulfanylideneethyl)-N'-methyl-N'-(1-methylsulfanylbutan-2-yl)oxamide?
The IUPAC name of N-(2-amino-2-sulfanylideneethyl)-N'-methyl-N'-(1-methylsulfanylbutan-2-yl)oxamide (CID 112659642) is N-(2-amino-2-sulfanylideneethyl)-N'-methyl-N'-(1-methylsulfanylbutan-2-yl)oxamide.
What is the SMILES notation for N-(2-amino-2-sulfanylideneethyl)-N'-methyl-N'-(1-methylsulfanylbutan-2-yl)oxamide?
The canonical SMILES for N-(2-amino-2-sulfanylideneethyl)-N'-methyl-N'-(1-methylsulfanylbutan-2-yl)oxamide is CCC(CSC)N(C)C(=O)C(=O)NCC(N)=S.
What is the InChIKey of N-(2-amino-2-sulfanylideneethyl)-N'-methyl-N'-(1-methylsulfanylbutan-2-yl)oxamide?
The InChIKey is XBDMWXDQPRBBIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O2S2/c1-4-7(6-17-3)13(2)10(15)9(14)12-5-8(11)16/h7H,4-6H2,1-3H3,(H2,11,16)(H,12,14).
What are the key properties of N-(2-amino-2-sulfanylideneethyl)-N'-methyl-N'-(1-methylsulfanylbutan-2-yl)oxamide?
N-(2-amino-2-sulfanylideneethyl)-N'-methyl-N'-(1-methylsulfanylbutan-2-yl)oxamide has a molecular weight of 277.42 g/mol, XLogP of -0.01, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-sulfanylideneethyl)-N'-methyl-N'-(1-methylsulfanylbutan-2-yl)oxamide is sourced from PubChem (CID 112659642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).