2-[methyl(1-methylsulfanylbutan-2-yl)amino]-1-phenylbutan-1-one

C16H25NOS — CID 112662034

IUPAC2-[methyl(1-methylsulfanylbutan-2-yl)amino]-1-phenylbutan-1-one
SMILESCCC(CSC)N(C)C(CC)C(=O)c1ccccc1
InChIInChI=1S/C16H25NOS/c1-5-14(12-19-4)17(3)15(6-2)16(18)13-10-8-7-9-11-13/h7-11,14-15H,5-6,12H2,1-4H3
InChIKeyCXUFFPWUMSZCTB-UHFFFAOYSA-N
MW279.45 g/mol
LogP3.72
Rot. Bonds8

About 2-[methyl(1-methylsulfanylbutan-2-yl)amino]-1-phenylbutan-1-one

2-[methyl(1-methylsulfanylbutan-2-yl)amino]-1-phenylbutan-1-one (PubChem CID 112662034) has the molecular formula C16H25NOS and a molecular weight of 279.45 g/mol. Its IUPAC name is 2-[methyl(1-methylsulfanylbutan-2-yl)amino]-1-phenylbutan-1-one.

Molecular Properties

Compound Name2-[methyl(1-methylsulfanylbutan-2-yl)amino]-1-phenylbutan-1-one
PubChem CID112662034
Molecular FormulaC16H25NOS
Molecular Weight279.45 g/mol
Exact Mass279.17
IUPAC Name2-[methyl(1-methylsulfanylbutan-2-yl)amino]-1-phenylbutan-1-one
SMILESCCC(CSC)N(C)C(CC)C(=O)c1ccccc1
InChIInChI=1S/C16H25NOS/c1-5-14(12-19-4)17(3)15(6-2)16(18)13-10-8-7-9-11-13/h7-11,14-15H,5-6,12H2,1-4H3
InChIKeyCXUFFPWUMSZCTB-UHFFFAOYSA-N
XLogP3.72
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.45
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[methyl(1-methylsulfanylbutan-2-yl)amino]-1-phenylbutan-1-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

2-[methyl(pentan-3-yl)amino]-1-phenylpropan-1-one
CID 43796822
4-[methyl(1-methylsulfanylbutan-2-yl)amino]-1-phenylbutan-1-one
CID 112662012
ethyl 2-[methyl(1-methylsulfanylbutan-2-yl)amino]-2-phenylacetate
CID 106677134
2-(methylsulfanylmethyl)-1,3-diphenylpropane-1,3-dione
CID 12815430
3-methoxy-2-[methyl(1-methylsulfanylbutan-2-yl)amino]propanoic acid
CID 103224864
2-[methyl(1-methylsulfanylbutan-2-yl)carbamoyl]benzoic acid
CID 112657921
2-[methyl(1-methylsulfanylbutan-2-yl)amino]propanoic acid
CID 112551537
2-[methyl(2-pyrrolidin-1-ylethyl)amino]-1-phenylbutan-1-one
CID 63207872
2-[ethyl(2,2,2-trifluoroethyl)amino]-1-phenylbutan-1-one
CID 55010357
2-bromo-N-methyl-N-(1-methylsulfanylbutan-2-yl)benzamide
CID 112551572
2-[methyl(1-methylsulfanylbutan-2-yl)amino]butanethioamide
CID 112659869
2-ethyl-1,3-diphenylpropane-1,3-dione
CID 10514968

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(1-methylsulfanylbutan-2-yl)amino]-1-phenylbutan-1-one?
The IUPAC name of 2-[methyl(1-methylsulfanylbutan-2-yl)amino]-1-phenylbutan-1-one (CID 112662034) is 2-[methyl(1-methylsulfanylbutan-2-yl)amino]-1-phenylbutan-1-one.
What is the SMILES notation for 2-[methyl(1-methylsulfanylbutan-2-yl)amino]-1-phenylbutan-1-one?
The canonical SMILES for 2-[methyl(1-methylsulfanylbutan-2-yl)amino]-1-phenylbutan-1-one is CCC(CSC)N(C)C(CC)C(=O)c1ccccc1.
What is the InChIKey of 2-[methyl(1-methylsulfanylbutan-2-yl)amino]-1-phenylbutan-1-one?
The InChIKey is CXUFFPWUMSZCTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NOS/c1-5-14(12-19-4)17(3)15(6-2)16(18)13-10-8-7-9-11-13/h7-11,14-15H,5-6,12H2,1-4H3.
What are the key properties of 2-[methyl(1-methylsulfanylbutan-2-yl)amino]-1-phenylbutan-1-one?
2-[methyl(1-methylsulfanylbutan-2-yl)amino]-1-phenylbutan-1-one has a molecular weight of 279.45 g/mol, XLogP of 3.72, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(1-methylsulfanylbutan-2-yl)amino]-1-phenylbutan-1-one is sourced from PubChem (CID 112662034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).