4-methylsulfanyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butan-1-amine

C11H22F3N3S — CID 60810555

IUPAC4-methylsulfanyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butan-1-amine
SMILESCSCCC(CN)N1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C11H22F3N3S/c1-18-7-2-10(8-15)17-5-3-16(4-6-17)9-11(12,13)14/h10H,2-9,15H2,1H3
InChIKeyKUVYAZNUAHKFQW-UHFFFAOYSA-N
MW285.38 g/mol
LogP1.25
Rot. Bonds6

About 4-methylsulfanyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butan-1-amine

4-methylsulfanyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butan-1-amine (PubChem CID 60810555) has the molecular formula C11H22F3N3S and a molecular weight of 285.38 g/mol. Its IUPAC name is 4-methylsulfanyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butan-1-amine.

Molecular Properties

Compound Name4-methylsulfanyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butan-1-amine
PubChem CID60810555
Molecular FormulaC11H22F3N3S
Molecular Weight285.38 g/mol
Exact Mass285.15
IUPAC Name4-methylsulfanyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butan-1-amine
SMILESCSCCC(CN)N1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C11H22F3N3S/c1-18-7-2-10(8-15)17-5-3-16(4-6-17)9-11(12,13)14/h10H,2-9,15H2,1H3
InChIKeyKUVYAZNUAHKFQW-UHFFFAOYSA-N
XLogP1.25
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.38
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-methylsulfanyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butan-1-amine with MolForge

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Related Compounds

N-methyl-1-(1-methylsulfanylpropan-2-yl)-5-(trifluoromethyl)piperidin-3-amine
CID 134514969
3,3,3-Trifluoro-2-thiomorpholin-4-ylpropan-1-amine
CID 43752683
4,4,4-Trifluoro-3-thiomorpholin-4-ylbutan-1-amine
CID 43753140
1,1,1-trifluoro-2-N-methyl-2-N-(thiolan-3-yl)butane-2,3-diamine
CID 61647856
1,1,1-trifluoro-2-N-methyl-2-N-(thiolan-3-yl)pentane-2,3-diamine
CID 61647857
4,4,4-Trifluoro-3-thiomorpholin-4-ylbutan-2-amine
CID 61647909
1,1,1-Trifluoro-2-thiomorpholin-4-ylpentan-3-amine
CID 61647963
1,1,1-Trifluoro-2-(1-oxo-1,4-thiazinan-4-yl)pentan-3-amine
CID 61648091
2-thiomorpholin-4-yl-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 62558863
N-(2-methylsulfanylethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 63980758
N-(3-methylsulfanylpropyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 63983391
1,1,1-Trifluoro-2-(3-methylthiomorpholin-4-yl)pentan-3-amine
CID 64039717

Frequently Asked Questions

What is the IUPAC name of 4-methylsulfanyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butan-1-amine?
The IUPAC name of 4-methylsulfanyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butan-1-amine (CID 60810555) is 4-methylsulfanyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butan-1-amine.
What is the SMILES notation for 4-methylsulfanyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butan-1-amine?
The canonical SMILES for 4-methylsulfanyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butan-1-amine is CSCCC(CN)N1CCN(CC(F)(F)F)CC1.
What is the InChIKey of 4-methylsulfanyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butan-1-amine?
The InChIKey is KUVYAZNUAHKFQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22F3N3S/c1-18-7-2-10(8-15)17-5-3-16(4-6-17)9-11(12,13)14/h10H,2-9,15H2,1H3.
What are the key properties of 4-methylsulfanyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butan-1-amine?
4-methylsulfanyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butan-1-amine has a molecular weight of 285.38 g/mol, XLogP of 1.25, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylsulfanyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butan-1-amine is sourced from PubChem (CID 60810555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).