N-(4-amino-4-sulfanylidenebutan-2-yl)-3,3-dimethylbutanamide

C10H20N2OS — CID 62093697

IUPACN-(4-amino-4-sulfanylidenebutan-2-yl)-3,3-dimethylbutanamide
SMILESCC(CC(N)=S)NC(=O)CC(C)(C)C
InChIInChI=1S/C10H20N2OS/c1-7(5-8(11)14)12-9(13)6-10(2,3)4/h7H,5-6H2,1-4H3,(H2,11,14)(H,12,13)
InChIKeyGEALZJJARKMOTQ-UHFFFAOYSA-N
MW216.35 g/mol
LogP1.60
Rot. Bonds4

About N-(4-amino-4-sulfanylidenebutan-2-yl)-3,3-dimethylbutanamide

N-(4-amino-4-sulfanylidenebutan-2-yl)-3,3-dimethylbutanamide (PubChem CID 62093697) has the molecular formula C10H20N2OS and a molecular weight of 216.35 g/mol. Its IUPAC name is N-(4-amino-4-sulfanylidenebutan-2-yl)-3,3-dimethylbutanamide.

Molecular Properties

Compound NameN-(4-amino-4-sulfanylidenebutan-2-yl)-3,3-dimethylbutanamide
PubChem CID62093697
Molecular FormulaC10H20N2OS
Molecular Weight216.35 g/mol
Exact Mass216.13
IUPAC NameN-(4-amino-4-sulfanylidenebutan-2-yl)-3,3-dimethylbutanamide
SMILESCC(CC(N)=S)NC(=O)CC(C)(C)C
InChIInChI=1S/C10H20N2OS/c1-7(5-8(11)14)12-9(13)6-10(2,3)4/h7H,5-6H2,1-4H3,(H2,11,14)(H,12,13)
InChIKeyGEALZJJARKMOTQ-UHFFFAOYSA-N
XLogP1.60
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.35
LogP ≤ 51.60
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)-2-methylpropanamide
CID 62093157
N-(4-amino-4-sulfanylidenebutan-2-yl)-2-methoxy-2-methylpropanamide
CID 103020377
N-(4-amino-4-sulfanylidenebutan-2-yl)-2-(4-fluorophenyl)acetamide
CID 55033721
3,3-dimethyl-N-(4-methyl-3-oxopentan-2-yl)butanamide
CID 89004719
N-(1-amino-1-sulfanylidenepentan-3-yl)-3,5,5-trimethylhexanamide
CID 62651644
3,3-dimethyl-N-[(3R)-2-methyl-4-oxopentan-3-yl]butanamide
CID 142180452
N-(1-amino-4-methylpentan-2-yl)-3,3-dimethylbutanamide;hydrochloride
CID 119585818
methyl (2S)-2-(3,3-dimethylbutanoylamino)-4-methylpentanoate
CID 22872263
methyl 2-(3,3-dimethylbutanoylamino)-4-methylpentanoate
CID 19957218
methyl 2-(3,3-dimethylbutanoylamino)-3-methylpentanoate
CID 86977052
N-(4-amino-4-sulfanylidenebutan-2-yl)-2-thiophen-2-ylacetamide
CID 62092047

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-4-sulfanylidenebutan-2-yl)-3,3-dimethylbutanamide?
The IUPAC name of N-(4-amino-4-sulfanylidenebutan-2-yl)-3,3-dimethylbutanamide (CID 62093697) is N-(4-amino-4-sulfanylidenebutan-2-yl)-3,3-dimethylbutanamide.
What is the SMILES notation for N-(4-amino-4-sulfanylidenebutan-2-yl)-3,3-dimethylbutanamide?
The canonical SMILES for N-(4-amino-4-sulfanylidenebutan-2-yl)-3,3-dimethylbutanamide is CC(CC(N)=S)NC(=O)CC(C)(C)C.
What is the InChIKey of N-(4-amino-4-sulfanylidenebutan-2-yl)-3,3-dimethylbutanamide?
The InChIKey is GEALZJJARKMOTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2OS/c1-7(5-8(11)14)12-9(13)6-10(2,3)4/h7H,5-6H2,1-4H3,(H2,11,14)(H,12,13).
What are the key properties of N-(4-amino-4-sulfanylidenebutan-2-yl)-3,3-dimethylbutanamide?
N-(4-amino-4-sulfanylidenebutan-2-yl)-3,3-dimethylbutanamide has a molecular weight of 216.35 g/mol, XLogP of 1.60, 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)-3,3-dimethylbutanamide is sourced from PubChem (CID 62093697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).