1-cyclopropyl-N-methyl-4-(trifluoromethylsulfanyl)butan-1-amine

C9H16F3NS — CID 116616701

IUPAC1-cyclopropyl-N-methyl-4-(trifluoromethylsulfanyl)butan-1-amine
SMILESCNC(CCCSC(F)(F)F)C1CC1
InChIInChI=1S/C9H16F3NS/c1-13-8(7-4-5-7)3-2-6-14-9(10,11)12/h7-8,13H,2-6H2,1H3
InChIKeyOWINISPPLMUKRZ-UHFFFAOYSA-N
MW227.29 g/mol
LogP3.02
Rot. Bonds6

About 1-cyclopropyl-N-methyl-4-(trifluoromethylsulfanyl)butan-1-amine

1-cyclopropyl-N-methyl-4-(trifluoromethylsulfanyl)butan-1-amine (PubChem CID 116616701) has the molecular formula C9H16F3NS and a molecular weight of 227.29 g/mol. Its IUPAC name is 1-cyclopropyl-N-methyl-4-(trifluoromethylsulfanyl)butan-1-amine.

Molecular Properties

Compound Name1-cyclopropyl-N-methyl-4-(trifluoromethylsulfanyl)butan-1-amine
PubChem CID116616701
Molecular FormulaC9H16F3NS
Molecular Weight227.29 g/mol
Exact Mass227.10
IUPAC Name1-cyclopropyl-N-methyl-4-(trifluoromethylsulfanyl)butan-1-amine
SMILESCNC(CCCSC(F)(F)F)C1CC1
InChIInChI=1S/C9H16F3NS/c1-13-8(7-4-5-7)3-2-6-14-9(10,11)12/h7-8,13H,2-6H2,1H3
InChIKeyOWINISPPLMUKRZ-UHFFFAOYSA-N
XLogP3.02
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.29
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-cyclopropyl-N-methyl-4-(trifluoromethylsulfanyl)butan-1-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

3-methyl-6-N-(4-methylsulfanylbutyl)-1-N-(2,2,2-trifluoroethyl)heptane-1,6-diamine
CID 146254139
2-(1,1-Difluoroethyl)-5-methyl-3-methylsulfanylpiperidine
CID 176942873
N-(3-methylsulfanylpropyl)-3-(trifluoromethyl)cyclohexan-1-amine
CID 43434423
N-(3-methylsulfanylpropyl)-2-(trifluoromethyl)cyclohexan-1-amine
CID 43434511
N-(3-methylsulfanylpropyl)-4-(trifluoromethyl)cyclohexan-1-amine
CID 43434639
N-(2-methyl-3-methylsulfanylpropyl)-4-(trifluoromethyl)cyclohexan-1-amine
CID 64755687
N-(2-methyl-3-methylsulfanylpropyl)-2-(trifluoromethyl)cyclohexan-1-amine
CID 64758494
N-(2-methyl-3-methylsulfanylpropyl)-3-(trifluoromethyl)cyclohexan-1-amine
CID 64760024
5,5,5-trifluoro-N-methyl-1-(2-methylpropylsulfanyl)pentan-2-amine
CID 65135518
N-(6-methylsulfanylhexyl)-3-(trifluoromethyl)cyclohexan-1-amine
CID 102609796
1-cyclopropyl-N-[2-(trifluoromethylsulfanyl)ethyl]propan-1-amine
CID 103778148
N-(3-methylsulfanylbutyl)-4-(trifluoromethyl)cyclohexan-1-amine
CID 104844708

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-methyl-4-(trifluoromethylsulfanyl)butan-1-amine?
The IUPAC name of 1-cyclopropyl-N-methyl-4-(trifluoromethylsulfanyl)butan-1-amine (CID 116616701) is 1-cyclopropyl-N-methyl-4-(trifluoromethylsulfanyl)butan-1-amine.
What is the SMILES notation for 1-cyclopropyl-N-methyl-4-(trifluoromethylsulfanyl)butan-1-amine?
The canonical SMILES for 1-cyclopropyl-N-methyl-4-(trifluoromethylsulfanyl)butan-1-amine is CNC(CCCSC(F)(F)F)C1CC1.
What is the InChIKey of 1-cyclopropyl-N-methyl-4-(trifluoromethylsulfanyl)butan-1-amine?
The InChIKey is OWINISPPLMUKRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NS/c1-13-8(7-4-5-7)3-2-6-14-9(10,11)12/h7-8,13H,2-6H2,1H3.
What are the key properties of 1-cyclopropyl-N-methyl-4-(trifluoromethylsulfanyl)butan-1-amine?
1-cyclopropyl-N-methyl-4-(trifluoromethylsulfanyl)butan-1-amine has a molecular weight of 227.29 g/mol, XLogP of 3.02, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-methyl-4-(trifluoromethylsulfanyl)butan-1-amine is sourced from PubChem (CID 116616701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).