N-(4-amino-4-sulfanylidenebutan-2-yl)-2-methoxy-2-methylpropanamide

C9H18N2O2S — CID 103020377

IUPACN-(4-amino-4-sulfanylidenebutan-2-yl)-2-methoxy-2-methylpropanamide
SMILESCOC(C)(C)C(=O)NC(C)CC(N)=S
InChIInChI=1S/C9H18N2O2S/c1-6(5-7(10)14)11-8(12)9(2,3)13-4/h6H,5H2,1-4H3,(H2,10,14)(H,11,12)
InChIKeyVGWBJRKOCVBDNL-UHFFFAOYSA-N
MW218.32 g/mol
LogP0.59
Rot. Bonds5

About N-(4-amino-4-sulfanylidenebutan-2-yl)-2-methoxy-2-methylpropanamide

N-(4-amino-4-sulfanylidenebutan-2-yl)-2-methoxy-2-methylpropanamide (PubChem CID 103020377) has the molecular formula C9H18N2O2S and a molecular weight of 218.32 g/mol. Its IUPAC name is N-(4-amino-4-sulfanylidenebutan-2-yl)-2-methoxy-2-methylpropanamide.

Molecular Properties

Compound NameN-(4-amino-4-sulfanylidenebutan-2-yl)-2-methoxy-2-methylpropanamide
PubChem CID103020377
Molecular FormulaC9H18N2O2S
Molecular Weight218.32 g/mol
Exact Mass218.11
IUPAC NameN-(4-amino-4-sulfanylidenebutan-2-yl)-2-methoxy-2-methylpropanamide
SMILESCOC(C)(C)C(=O)NC(C)CC(N)=S
InChIInChI=1S/C9H18N2O2S/c1-6(5-7(10)14)11-8(12)9(2,3)13-4/h6H,5H2,1-4H3,(H2,10,14)(H,11,12)
InChIKeyVGWBJRKOCVBDNL-UHFFFAOYSA-N
XLogP0.59
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.32
LogP ≤ 50.59
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-(1-amino-1-sulfanylidenepentan-3-yl)-2-methoxy-2-methylpropanamide
CID 103020409
N-(4-amino-4-sulfanylidenebutan-2-yl)-3,3-dimethylbutanamide
CID 62093697
N-(4-amino-4-sulfanylidenebutan-2-yl)-2-methylpropanamide
CID 62093157
N-(4-amino-4-sulfanylidenebutan-2-yl)-4-methylpentanamide
CID 62092791
N-(2-amino-1-cyclopropyl-2-sulfanylideneethyl)-2-methoxy-2-methylpropanamide
CID 103020480
diethyl 2-[(2-methoxy-2-methylpropanoyl)amino]propanedioate
CID 103021733
N-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-2-methoxy-2-methylpropanamide
CID 103022130
(2S,3S)-2-[(2-methoxy-2-methylpropanoyl)amino]-3-methylpentanoic acid
CID 103018390
N-(1-amino-4,4-dimethylpentan-3-yl)-2-methoxy-2-methylpropanamide
CID 106357251
3-[(2-methoxy-2-methylpropanoyl)amino]-5,5-dimethylhexanoic acid
CID 103019288
(2S)-4-methoxy-2-[(2-methoxy-2-methylpropanoyl)amino]-4-oxobutanoic acid
CID 103018649
N-[(2S)-1-hydroxybutan-2-yl]-2-methoxy-2-methylpropanamide
CID 105342956

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-4-sulfanylidenebutan-2-yl)-2-methoxy-2-methylpropanamide?
The IUPAC name of N-(4-amino-4-sulfanylidenebutan-2-yl)-2-methoxy-2-methylpropanamide (CID 103020377) is N-(4-amino-4-sulfanylidenebutan-2-yl)-2-methoxy-2-methylpropanamide.
What is the SMILES notation for N-(4-amino-4-sulfanylidenebutan-2-yl)-2-methoxy-2-methylpropanamide?
The canonical SMILES for N-(4-amino-4-sulfanylidenebutan-2-yl)-2-methoxy-2-methylpropanamide is COC(C)(C)C(=O)NC(C)CC(N)=S.
What is the InChIKey of N-(4-amino-4-sulfanylidenebutan-2-yl)-2-methoxy-2-methylpropanamide?
The InChIKey is VGWBJRKOCVBDNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2S/c1-6(5-7(10)14)11-8(12)9(2,3)13-4/h6H,5H2,1-4H3,(H2,10,14)(H,11,12).
What are the key properties of N-(4-amino-4-sulfanylidenebutan-2-yl)-2-methoxy-2-methylpropanamide?
N-(4-amino-4-sulfanylidenebutan-2-yl)-2-methoxy-2-methylpropanamide has a molecular weight of 218.32 g/mol, XLogP of 0.59, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-4-sulfanylidenebutan-2-yl)-2-methoxy-2-methylpropanamide is sourced from PubChem (CID 103020377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).