N-(1-amino-2-methyl-1-sulfanylidenebutan-2-yl)-3-methoxy-3-methylbutanamide

C11H22N2O2S — CID 103020321

IUPACN-(1-amino-2-methyl-1-sulfanylidenebutan-2-yl)-3-methoxy-3-methylbutanamide
SMILESCCC(C)(NC(=O)CC(C)(C)OC)C(N)=S
InChIInChI=1S/C11H22N2O2S/c1-6-11(4,9(12)16)13-8(14)7-10(2,3)15-5/h6-7H2,1-5H3,(H2,12,16)(H,13,14)
InChIKeyIRNITKLIHHXAIP-UHFFFAOYSA-N
MW246.38 g/mol
LogP1.37
Rot. Bonds6

About N-(1-amino-2-methyl-1-sulfanylidenebutan-2-yl)-3-methoxy-3-methylbutanamide

N-(1-amino-2-methyl-1-sulfanylidenebutan-2-yl)-3-methoxy-3-methylbutanamide (PubChem CID 103020321) has the molecular formula C11H22N2O2S and a molecular weight of 246.38 g/mol. Its IUPAC name is N-(1-amino-2-methyl-1-sulfanylidenebutan-2-yl)-3-methoxy-3-methylbutanamide.

Molecular Properties

Compound NameN-(1-amino-2-methyl-1-sulfanylidenebutan-2-yl)-3-methoxy-3-methylbutanamide
PubChem CID103020321
Molecular FormulaC11H22N2O2S
Molecular Weight246.38 g/mol
Exact Mass246.14
IUPAC NameN-(1-amino-2-methyl-1-sulfanylidenebutan-2-yl)-3-methoxy-3-methylbutanamide
SMILESCCC(C)(NC(=O)CC(C)(C)OC)C(N)=S
InChIInChI=1S/C11H22N2O2S/c1-6-11(4,9(12)16)13-8(14)7-10(2,3)15-5/h6-7H2,1-5H3,(H2,12,16)(H,13,14)
InChIKeyIRNITKLIHHXAIP-UHFFFAOYSA-N
XLogP1.37
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.38
LogP ≤ 51.37
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,3-dimethoxy-3-methylbutanamide
CID 103021007
N-(1-amino-2-methyl-1-sulfanylidenebutan-2-yl)-3-(2,2,2-trifluoroethoxy)propanamide
CID 103208340
N-(1-amino-2-methyl-1-sulfanylidenebutan-2-yl)-3,5,5-trimethylhexanamide
CID 61120416
N-(1-amino-2-methyl-1-sulfanylidenebutan-2-yl)-3-cyclopentylpropanamide
CID 61121156
N-(1-amino-2,3-dimethylbutan-2-yl)-3-methoxy-3-methylbutanamide
CID 103021631
N-(1-amino-2-methyl-1-sulfanylidenebutan-2-yl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 66475556
3-methoxy-3-methylbutanethioamide
CID 123631110
N-(1-amino-2-methyl-1-sulfanylidenebutan-2-yl)-3-phenylpropanamide
CID 61121154
N-(1-amino-2-methyl-1-sulfanylidenebutan-2-yl)cyclopentanecarboxamide
CID 61119214
N-(1-amino-2-methyl-1-sulfanylidenebutan-2-yl)-2-propylpentanamide
CID 82984485
N-(1-amino-2-methyl-1-sulfanylidenebutan-2-yl)-3-methylthiophene-2-carboxamide
CID 61118833
N-(1-amino-2-methyl-1-sulfanylidenebutan-2-yl)-4-phenylbutanamide
CID 61120224

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-methyl-1-sulfanylidenebutan-2-yl)-3-methoxy-3-methylbutanamide?
The IUPAC name of N-(1-amino-2-methyl-1-sulfanylidenebutan-2-yl)-3-methoxy-3-methylbutanamide (CID 103020321) is N-(1-amino-2-methyl-1-sulfanylidenebutan-2-yl)-3-methoxy-3-methylbutanamide.
What is the SMILES notation for N-(1-amino-2-methyl-1-sulfanylidenebutan-2-yl)-3-methoxy-3-methylbutanamide?
The canonical SMILES for N-(1-amino-2-methyl-1-sulfanylidenebutan-2-yl)-3-methoxy-3-methylbutanamide is CCC(C)(NC(=O)CC(C)(C)OC)C(N)=S.
What is the InChIKey of N-(1-amino-2-methyl-1-sulfanylidenebutan-2-yl)-3-methoxy-3-methylbutanamide?
The InChIKey is IRNITKLIHHXAIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2S/c1-6-11(4,9(12)16)13-8(14)7-10(2,3)15-5/h6-7H2,1-5H3,(H2,12,16)(H,13,14).
What are the key properties of N-(1-amino-2-methyl-1-sulfanylidenebutan-2-yl)-3-methoxy-3-methylbutanamide?
N-(1-amino-2-methyl-1-sulfanylidenebutan-2-yl)-3-methoxy-3-methylbutanamide has a molecular weight of 246.38 g/mol, XLogP of 1.37, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-methyl-1-sulfanylidenebutan-2-yl)-3-methoxy-3-methylbutanamide is sourced from PubChem (CID 103020321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).