4-[methyl(1-methylsulfanylpropan-2-yl)amino]butan-2-one

C9H19NOS — CID 112702867

IUPAC4-[methyl(1-methylsulfanylpropan-2-yl)amino]butan-2-one
SMILESCSCC(C)N(C)CCC(C)=O
InChIInChI=1S/C9H19NOS/c1-8(7-12-4)10(3)6-5-9(2)11/h8H,5-7H2,1-4H3
InChIKeyYROAFTDVEIOCJN-UHFFFAOYSA-N
MW189.32 g/mol
LogP1.65
Rot. Bonds6

About 4-[methyl(1-methylsulfanylpropan-2-yl)amino]butan-2-one

4-[methyl(1-methylsulfanylpropan-2-yl)amino]butan-2-one (PubChem CID 112702867) has the molecular formula C9H19NOS and a molecular weight of 189.32 g/mol. Its IUPAC name is 4-[methyl(1-methylsulfanylpropan-2-yl)amino]butan-2-one.

Molecular Properties

Compound Name4-[methyl(1-methylsulfanylpropan-2-yl)amino]butan-2-one
PubChem CID112702867
Molecular FormulaC9H19NOS
Molecular Weight189.32 g/mol
Exact Mass189.12
IUPAC Name4-[methyl(1-methylsulfanylpropan-2-yl)amino]butan-2-one
SMILESCSCC(C)N(C)CCC(C)=O
InChIInChI=1S/C9H19NOS/c1-8(7-12-4)10(3)6-5-9(2)11/h8H,5-7H2,1-4H3
InChIKeyYROAFTDVEIOCJN-UHFFFAOYSA-N
XLogP1.65
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.32
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-[methyl(1-methylsulfanylpropan-2-yl)amino]butan-2-one 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

6-[methyl(1-methylsulfanylpropan-2-yl)amino]hexanoic acid
CID 112661582
methyl 4-[methyl(1-methylsulfanylpropan-2-yl)amino]butanoate
CID 112692200
N-(2-cyanoethyl)-N-methyl-3-[methyl(1-methylsulfanylpropan-2-yl)amino]propanamide
CID 112706646
N-methyl-N-(1-methylsulfanylpropan-2-yl)acetamide
CID 112692053
4-[methyl(1-methylsulfanylpropan-2-yl)amino]-1-phenylbutan-1-one
CID 112662103
3-methyl-1-[methyl(1-methylsulfanylpropan-2-yl)amino]pentan-2-one
CID 112662186
3-[methyl-[(2S)-1-methylsulfanylpropan-2-yl]amino]-N-[2-(trifluoromethyl)phenyl]propanamide
CID 97324001
N-(3-amino-2-methylphenyl)-3-[methyl(1-methylsulfanylpropan-2-yl)amino]propanamide
CID 115985430
6-[methyl(1-methylsulfanylpropan-2-yl)amino]hexane-1-thiol
CID 112667562
N-(2-cyanoethyl)-N-methyl-2-[methyl(1-methylsulfanylpropan-2-yl)amino]acetamide
CID 112692197
N-(2-amino-4-fluorophenyl)-3-[methyl(1-methylsulfanylpropan-2-yl)amino]propanamide
CID 115985452
N-(4-aminophenyl)-4-[methyl(1-methylsulfanylpropan-2-yl)amino]butanamide
CID 115985414

Frequently Asked Questions

What is the IUPAC name of 4-[methyl(1-methylsulfanylpropan-2-yl)amino]butan-2-one?
The IUPAC name of 4-[methyl(1-methylsulfanylpropan-2-yl)amino]butan-2-one (CID 112702867) is 4-[methyl(1-methylsulfanylpropan-2-yl)amino]butan-2-one.
What is the SMILES notation for 4-[methyl(1-methylsulfanylpropan-2-yl)amino]butan-2-one?
The canonical SMILES for 4-[methyl(1-methylsulfanylpropan-2-yl)amino]butan-2-one is CSCC(C)N(C)CCC(C)=O.
What is the InChIKey of 4-[methyl(1-methylsulfanylpropan-2-yl)amino]butan-2-one?
The InChIKey is YROAFTDVEIOCJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NOS/c1-8(7-12-4)10(3)6-5-9(2)11/h8H,5-7H2,1-4H3.
What are the key properties of 4-[methyl(1-methylsulfanylpropan-2-yl)amino]butan-2-one?
4-[methyl(1-methylsulfanylpropan-2-yl)amino]butan-2-one has a molecular weight of 189.32 g/mol, XLogP of 1.65, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl(1-methylsulfanylpropan-2-yl)amino]butan-2-one is sourced from PubChem (CID 112702867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).