1,1,1-trifluoro-N-methyl-4-methylsulfanylbutan-2-amine

C6H12F3NS — CID 55272632

IUPAC1,1,1-trifluoro-N-methyl-4-methylsulfanylbutan-2-amine
SMILESCNC(CCSC)C(F)(F)F
InChIInChI=1S/C6H12F3NS/c1-10-5(3-4-11-2)6(7,8)9/h5,10H,3-4H2,1-2H3
InChIKeyYZDJCUSWVPFOAB-UHFFFAOYSA-N
MW187.23 g/mol
LogP1.89
Rot. Bonds4

About 1,1,1-trifluoro-N-methyl-4-methylsulfanylbutan-2-amine

1,1,1-trifluoro-N-methyl-4-methylsulfanylbutan-2-amine (PubChem CID 55272632) has the molecular formula C6H12F3NS and a molecular weight of 187.23 g/mol. Its IUPAC name is 1,1,1-trifluoro-N-methyl-4-methylsulfanylbutan-2-amine.

Molecular Properties

Compound Name1,1,1-trifluoro-N-methyl-4-methylsulfanylbutan-2-amine
PubChem CID55272632
Molecular FormulaC6H12F3NS
Molecular Weight187.23 g/mol
Exact Mass187.06
IUPAC Name1,1,1-trifluoro-N-methyl-4-methylsulfanylbutan-2-amine
SMILESCNC(CCSC)C(F)(F)F
InChIInChI=1S/C6H12F3NS/c1-10-5(3-4-11-2)6(7,8)9/h5,10H,3-4H2,1-2H3
InChIKeyYZDJCUSWVPFOAB-UHFFFAOYSA-N
XLogP1.89
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.23
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1,1,1-trifluoro-N-methyl-4-methylsulfanylbutan-2-amine 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

1,1,1-trifluoro-N,6-dimethylheptan-2-amine
CID 105029014
1,1,1-trifluoro-N-methylnon-8-en-2-amine
CID 107011900
2-N-methyl-4-methylsulfanylbutane-1,2-diamine
CID 62065687
N-methyl-5-methylsulfanylpent-1-en-3-amine
CID 105161288
N-methyl-3-methylsulfanyl-1-[2-(trifluoromethoxy)phenyl]propan-1-amine
CID 105141589
amino-[(4S)-6-methylsulfanyl-4-(trifluoromethyl)hexan-2-yl]-oxidosulfanium
CID 175752859
N,4-dimethyl-1-methylsulfanylhexan-3-amine
CID 105170590
(2S)-2-(methylamino)-4-methylsulfanylbutanoic acid
CID 6451891
4-methylsulfanyl-2-(trifluoromethylamino)butanoic acid
CID 87668434
1,1,1-trifluoro-N-methyl-5-morpholin-4-ylpentan-2-amine
CID 82534956
(2S)-4-methylsulfanyl-2-(trifluoromethylsulfonylamino)butanamide
CID 22088496
4-methylsulfanyl-N-(2,2,2-trifluoro-1-phenylethyl)butan-2-amine
CID 113399602

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-N-methyl-4-methylsulfanylbutan-2-amine?
The IUPAC name of 1,1,1-trifluoro-N-methyl-4-methylsulfanylbutan-2-amine (CID 55272632) is 1,1,1-trifluoro-N-methyl-4-methylsulfanylbutan-2-amine.
What is the SMILES notation for 1,1,1-trifluoro-N-methyl-4-methylsulfanylbutan-2-amine?
The canonical SMILES for 1,1,1-trifluoro-N-methyl-4-methylsulfanylbutan-2-amine is CNC(CCSC)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-N-methyl-4-methylsulfanylbutan-2-amine?
The InChIKey is YZDJCUSWVPFOAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12F3NS/c1-10-5(3-4-11-2)6(7,8)9/h5,10H,3-4H2,1-2H3.
What are the key properties of 1,1,1-trifluoro-N-methyl-4-methylsulfanylbutan-2-amine?
1,1,1-trifluoro-N-methyl-4-methylsulfanylbutan-2-amine has a molecular weight of 187.23 g/mol, XLogP of 1.89, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-N-methyl-4-methylsulfanylbutan-2-amine is sourced from PubChem (CID 55272632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).