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

C8H16N2OS — CID 62093157

IUPACN-(4-amino-4-sulfanylidenebutan-2-yl)-2-methylpropanamide
SMILESCC(CC(N)=S)NC(=O)C(C)C
InChIInChI=1S/C8H16N2OS/c1-5(2)8(11)10-6(3)4-7(9)12/h5-6H,4H2,1-3H3,(H2,9,12)(H,10,11)
InChIKeyYAZDWUNDAHAWBM-UHFFFAOYSA-N
MW188.30 g/mol
LogP0.82
Rot. Bonds4

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

N-(4-amino-4-sulfanylidenebutan-2-yl)-2-methylpropanamide (PubChem CID 62093157) has the molecular formula C8H16N2OS and a molecular weight of 188.30 g/mol. Its IUPAC name is N-(4-amino-4-sulfanylidenebutan-2-yl)-2-methylpropanamide.

Molecular Properties

Compound NameN-(4-amino-4-sulfanylidenebutan-2-yl)-2-methylpropanamide
PubChem CID62093157
Molecular FormulaC8H16N2OS
Molecular Weight188.30 g/mol
Exact Mass188.10
IUPAC NameN-(4-amino-4-sulfanylidenebutan-2-yl)-2-methylpropanamide
SMILESCC(CC(N)=S)NC(=O)C(C)C
InChIInChI=1S/C8H16N2OS/c1-5(2)8(11)10-6(3)4-7(9)12/h5-6H,4H2,1-3H3,(H2,9,12)(H,10,11)
InChIKeyYAZDWUNDAHAWBM-UHFFFAOYSA-N
XLogP0.82
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.30
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(4-amino-4-sulfanylidenebutan-2-yl)-4-methylpentanamide
CID 62092791
N-(4-amino-4-sulfanylidenebutan-2-yl)-3,3-dimethylbutanamide
CID 62093697
N-[(2S)-1-aminopropan-2-yl]-2-methylpropanamide
CID 130636581
(E)-2,3-bis[(2S)-2-(2-methylpropanoylamino)propyl]but-2-enedioic acid
CID 126483204
N-(4-aminobutan-2-yl)-2-methylpropanamide
CID 62087211
N-(4-amino-4-sulfanylidenebutan-2-yl)-2-(4-fluorophenyl)acetamide
CID 55033721
N-(4-amino-4-sulfanylidenebutan-2-yl)-2-methoxy-2-methylpropanamide
CID 103020377
N-(4-amino-4-sulfanylidenebutan-2-yl)-2-(3-chlorophenyl)acetamide
CID 62505107
N-(2-amino-2-sulfanylideneethyl)-2-methylpropanamide
CID 61127271
N-(4-amino-4-sulfanylidenebutan-2-yl)-2-thiophen-2-ylacetamide
CID 62092047
N-(4-amino-4-sulfanylidenebutan-2-yl)-3,5-dibromobenzamide
CID 114022621
N-(4-amino-4-sulfanylidenebutan-2-yl)-2,4,6-trimethylbenzamide
CID 62092235

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-4-sulfanylidenebutan-2-yl)-2-methylpropanamide?
The IUPAC name of N-(4-amino-4-sulfanylidenebutan-2-yl)-2-methylpropanamide (CID 62093157) is N-(4-amino-4-sulfanylidenebutan-2-yl)-2-methylpropanamide.
What is the SMILES notation for N-(4-amino-4-sulfanylidenebutan-2-yl)-2-methylpropanamide?
The canonical SMILES for N-(4-amino-4-sulfanylidenebutan-2-yl)-2-methylpropanamide is CC(CC(N)=S)NC(=O)C(C)C.
What is the InChIKey of N-(4-amino-4-sulfanylidenebutan-2-yl)-2-methylpropanamide?
The InChIKey is YAZDWUNDAHAWBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2OS/c1-5(2)8(11)10-6(3)4-7(9)12/h5-6H,4H2,1-3H3,(H2,9,12)(H,10,11).
What are the key properties of N-(4-amino-4-sulfanylidenebutan-2-yl)-2-methylpropanamide?
N-(4-amino-4-sulfanylidenebutan-2-yl)-2-methylpropanamide has a molecular weight of 188.30 g/mol, XLogP of 0.82, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-4-sulfanylidenebutan-2-yl)-2-methylpropanamide is sourced from PubChem (CID 62093157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).