N-[1-(tert-butylamino)-1-sulfanylidenebutan-2-yl]-N-methylacetamide

C11H22N2OS — CID 2771439

IUPACN-[1-(tert-butylamino)-1-sulfanylidenebutan-2-yl]-N-methylacetamide
SMILESCCC(C(=S)NC(C)(C)C)N(C)C(C)=O
InChIInChI=1S/C11H22N2OS/c1-7-9(13(6)8(2)14)10(15)12-11(3,4)5/h9H,7H2,1-6H3,(H,12,15)
InChIKeyIKEMYZPBICNRPY-UHFFFAOYSA-N
MW230.38 g/mol
LogP1.96
Rot. Bonds3

About N-[1-(tert-butylamino)-1-sulfanylidenebutan-2-yl]-N-methylacetamide

N-[1-(tert-butylamino)-1-sulfanylidenebutan-2-yl]-N-methylacetamide (PubChem CID 2771439) has the molecular formula C11H22N2OS and a molecular weight of 230.38 g/mol. Its IUPAC name is N-[1-(tert-butylamino)-1-sulfanylidenebutan-2-yl]-N-methylacetamide.

Molecular Properties

Compound NameN-[1-(tert-butylamino)-1-sulfanylidenebutan-2-yl]-N-methylacetamide
PubChem CID2771439
Molecular FormulaC11H22N2OS
Molecular Weight230.38 g/mol
Exact Mass230.15
IUPAC NameN-[1-(tert-butylamino)-1-sulfanylidenebutan-2-yl]-N-methylacetamide
SMILESCCC(C(=S)NC(C)(C)C)N(C)C(C)=O
InChIInChI=1S/C11H22N2OS/c1-7-9(13(6)8(2)14)10(15)12-11(3,4)5/h9H,7H2,1-6H3,(H,12,15)
InChIKeyIKEMYZPBICNRPY-UHFFFAOYSA-N
XLogP1.96
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.38
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[1-(tert-butylamino)-1-sulfanylidenebutan-2-yl]-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

N-tert-butyl-2-[(carbamothioylmethyl)(methyl)amino]acetamide
CID 4962723
N-[1-(dimethylamino)-2-methyl-1-sulfanylidenepropan-2-yl]acetamide
CID 13583988
N-[1-(dimethylamino)-2,3-dimethyl-1-sulfanylidenebutan-2-yl]acetamide
CID 13583989
N-[3-(ethanethioylamino)butan-2-yl]acetamide
CID 118039462
2-(tert-butylamino)-N-[3-(methylamino)-3-sulfanylidenepropyl]acetamide
CID 155619104
N,2-dimethylpropanethioamide;N-propan-2-ylacetamide
CID 160627169
N-[2-(dimethylamino)propanethioyl]acetamide
CID 173408091
N-[2-(tert-butylamino)-2-sulfanylideneethyl]-N-methylacetamide
CID 2771438
N-[1-(tert-butylamino)-3-methyl-1-sulfanylidenebutan-2-yl]-N-methylacetamide
CID 2771440
N-[2-(cyclohexylamino)-2-thioxoethyl]-N-methylacetamide
CID 2771444
N-[1-(cyclohexylamino)-1-sulfanylidenebutan-2-yl]-N-methylacetamide
CID 2771445
N-[(2S)-1-(methylamino)-1-sulfanylidenepropan-2-yl]acetamide
CID 13970553

Frequently Asked Questions

What is the IUPAC name of N-[1-(tert-butylamino)-1-sulfanylidenebutan-2-yl]-N-methylacetamide?
The IUPAC name of N-[1-(tert-butylamino)-1-sulfanylidenebutan-2-yl]-N-methylacetamide (CID 2771439) is N-[1-(tert-butylamino)-1-sulfanylidenebutan-2-yl]-N-methylacetamide.
What is the SMILES notation for N-[1-(tert-butylamino)-1-sulfanylidenebutan-2-yl]-N-methylacetamide?
The canonical SMILES for N-[1-(tert-butylamino)-1-sulfanylidenebutan-2-yl]-N-methylacetamide is CCC(C(=S)NC(C)(C)C)N(C)C(C)=O.
What is the InChIKey of N-[1-(tert-butylamino)-1-sulfanylidenebutan-2-yl]-N-methylacetamide?
The InChIKey is IKEMYZPBICNRPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2OS/c1-7-9(13(6)8(2)14)10(15)12-11(3,4)5/h9H,7H2,1-6H3,(H,12,15).
What are the key properties of N-[1-(tert-butylamino)-1-sulfanylidenebutan-2-yl]-N-methylacetamide?
N-[1-(tert-butylamino)-1-sulfanylidenebutan-2-yl]-N-methylacetamide has a molecular weight of 230.38 g/mol, XLogP of 1.96, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(tert-butylamino)-1-sulfanylidenebutan-2-yl]-N-methylacetamide is sourced from PubChem (CID 2771439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).