2-[(4-amino-4-sulfanylidenebutan-2-yl)-methylamino]-N-methylacetamide

C8H17N3OS — CID 60913837

IUPAC2-[(4-amino-4-sulfanylidenebutan-2-yl)-methylamino]-N-methylacetamide
SMILESCNC(=O)CN(C)C(C)CC(N)=S
InChIInChI=1S/C8H17N3OS/c1-6(4-7(9)13)11(3)5-8(12)10-2/h6H,4-5H2,1-3H3,(H2,9,13)(H,10,12)
InChIKeyBOWICKAGJUBQNH-UHFFFAOYSA-N
MW203.31 g/mol
LogP-0.27
Rot. Bonds5

About 2-[(4-amino-4-sulfanylidenebutan-2-yl)-methylamino]-N-methylacetamide

2-[(4-amino-4-sulfanylidenebutan-2-yl)-methylamino]-N-methylacetamide (PubChem CID 60913837) has the molecular formula C8H17N3OS and a molecular weight of 203.31 g/mol. Its IUPAC name is 2-[(4-amino-4-sulfanylidenebutan-2-yl)-methylamino]-N-methylacetamide.

Molecular Properties

Compound Name2-[(4-amino-4-sulfanylidenebutan-2-yl)-methylamino]-N-methylacetamide
PubChem CID60913837
Molecular FormulaC8H17N3OS
Molecular Weight203.31 g/mol
Exact Mass203.11
IUPAC Name2-[(4-amino-4-sulfanylidenebutan-2-yl)-methylamino]-N-methylacetamide
SMILESCNC(=O)CN(C)C(C)CC(N)=S
InChIInChI=1S/C8H17N3OS/c1-6(4-7(9)13)11(3)5-8(12)10-2/h6H,4-5H2,1-3H3,(H2,9,13)(H,10,12)
InChIKeyBOWICKAGJUBQNH-UHFFFAOYSA-N
XLogP-0.27
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.31
LogP ≤ 5-0.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[(4-amino-4-sulfanylidenebutan-2-yl)-methylamino]-N-methylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(4-amino-4-sulfanylidenebutan-2-yl)-methylamino]-N-methylbutanamide
CID 63889932
2-[[(2R)-1-aminopropan-2-yl]-methylamino]-N-methylacetamide
CID 131227452
N-methyl-2-[methyl(propan-2-yl)amino]acetamide
CID 89311183
2-[(5-hydrazinyl-5-oxopentan-2-yl)-methylamino]-N-methylacetamide
CID 63574231
methyl 3-[(4-amino-4-sulfanylidenebutan-2-yl)-methylamino]propanoate
CID 63948089
3-[methyl(2-methylpropyl)amino]butanethioamide
CID 60913501
3-[2-hydroxyethyl(methyl)amino]butanethioamide
CID 60961415
2-[methyl-[2-(methylamino)-2-oxoethyl]amino]propanoic acid
CID 43216485
3-[(4-amino-4-sulfanylidenebutan-2-yl)-methylamino]-2,2-dimethylpropanoic acid
CID 79624612
2-[(1-amino-1-sulfanylidenepentan-3-yl)-methylamino]-N-propylacetamide
CID 61451371
3-[methyl(2-propylsulfonylethyl)amino]butanethioamide
CID 106724853
3-[methyl-[3-(methylamino)-3-oxopropyl]amino]butanoic acid
CID 106916227

Frequently Asked Questions

What is the IUPAC name of 2-[(4-amino-4-sulfanylidenebutan-2-yl)-methylamino]-N-methylacetamide?
The IUPAC name of 2-[(4-amino-4-sulfanylidenebutan-2-yl)-methylamino]-N-methylacetamide (CID 60913837) is 2-[(4-amino-4-sulfanylidenebutan-2-yl)-methylamino]-N-methylacetamide.
What is the SMILES notation for 2-[(4-amino-4-sulfanylidenebutan-2-yl)-methylamino]-N-methylacetamide?
The canonical SMILES for 2-[(4-amino-4-sulfanylidenebutan-2-yl)-methylamino]-N-methylacetamide is CNC(=O)CN(C)C(C)CC(N)=S.
What is the InChIKey of 2-[(4-amino-4-sulfanylidenebutan-2-yl)-methylamino]-N-methylacetamide?
The InChIKey is BOWICKAGJUBQNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3OS/c1-6(4-7(9)13)11(3)5-8(12)10-2/h6H,4-5H2,1-3H3,(H2,9,13)(H,10,12).
What are the key properties of 2-[(4-amino-4-sulfanylidenebutan-2-yl)-methylamino]-N-methylacetamide?
2-[(4-amino-4-sulfanylidenebutan-2-yl)-methylamino]-N-methylacetamide has a molecular weight of 203.31 g/mol, XLogP of -0.27, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-amino-4-sulfanylidenebutan-2-yl)-methylamino]-N-methylacetamide is sourced from PubChem (CID 60913837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).