N-(1-amino-2-methyl-1-sulfanylidenebutan-2-yl)-3-methylthiophene-2-carboxamide

C11H16N2OS2 — CID 61118833

IUPACN-(1-amino-2-methyl-1-sulfanylidenebutan-2-yl)-3-methylthiophene-2-carboxamide
SMILESCCC(C)(NC(=O)c1sccc1C)C(N)=S
InChIInChI=1S/C11H16N2OS2/c1-4-11(3,10(12)15)13-9(14)8-7(2)5-6-16-8/h5-6H,4H2,1-3H3,(H2,12,15)(H,13,14)
InChIKeyHFCSEISNFFIJAA-UHFFFAOYSA-N
MW256.40 g/mol
LogP2.24
Rot. Bonds4

About N-(1-amino-2-methyl-1-sulfanylidenebutan-2-yl)-3-methylthiophene-2-carboxamide

N-(1-amino-2-methyl-1-sulfanylidenebutan-2-yl)-3-methylthiophene-2-carboxamide (PubChem CID 61118833) has the molecular formula C11H16N2OS2 and a molecular weight of 256.40 g/mol. Its IUPAC name is N-(1-amino-2-methyl-1-sulfanylidenebutan-2-yl)-3-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(1-amino-2-methyl-1-sulfanylidenebutan-2-yl)-3-methylthiophene-2-carboxamide
PubChem CID61118833
Molecular FormulaC11H16N2OS2
Molecular Weight256.40 g/mol
Exact Mass256.07
IUPAC NameN-(1-amino-2-methyl-1-sulfanylidenebutan-2-yl)-3-methylthiophene-2-carboxamide
SMILESCCC(C)(NC(=O)c1sccc1C)C(N)=S
InChIInChI=1S/C11H16N2OS2/c1-4-11(3,10(12)15)13-9(14)8-7(2)5-6-16-8/h5-6H,4H2,1-3H3,(H2,12,15)(H,13,14)
InChIKeyHFCSEISNFFIJAA-UHFFFAOYSA-N
XLogP2.24
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.40
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-methyl-1-sulfanylidenebutan-2-yl)-3-methylthiophene-2-carboxamide?
The IUPAC name of N-(1-amino-2-methyl-1-sulfanylidenebutan-2-yl)-3-methylthiophene-2-carboxamide (CID 61118833) is N-(1-amino-2-methyl-1-sulfanylidenebutan-2-yl)-3-methylthiophene-2-carboxamide.
What is the SMILES notation for N-(1-amino-2-methyl-1-sulfanylidenebutan-2-yl)-3-methylthiophene-2-carboxamide?
The canonical SMILES for N-(1-amino-2-methyl-1-sulfanylidenebutan-2-yl)-3-methylthiophene-2-carboxamide is CCC(C)(NC(=O)c1sccc1C)C(N)=S.
What is the InChIKey of N-(1-amino-2-methyl-1-sulfanylidenebutan-2-yl)-3-methylthiophene-2-carboxamide?
The InChIKey is HFCSEISNFFIJAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2OS2/c1-4-11(3,10(12)15)13-9(14)8-7(2)5-6-16-8/h5-6H,4H2,1-3H3,(H2,12,15)(H,13,14).
What are the key properties of N-(1-amino-2-methyl-1-sulfanylidenebutan-2-yl)-3-methylthiophene-2-carboxamide?
N-(1-amino-2-methyl-1-sulfanylidenebutan-2-yl)-3-methylthiophene-2-carboxamide has a molecular weight of 256.40 g/mol, XLogP of 2.24, 4 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-methylthiophene-2-carboxamide is sourced from PubChem (CID 61118833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).