1-cyclohexylsulfanyl-5,5,5-trifluoro-N-methylpentan-2-amine

C12H22F3NS — CID 65140058

IUPAC1-cyclohexylsulfanyl-5,5,5-trifluoro-N-methylpentan-2-amine
SMILESCNC(CCC(F)(F)F)CSC1CCCCC1
InChIInChI=1S/C12H22F3NS/c1-16-10(7-8-12(13,14)15)9-17-11-5-3-2-4-6-11/h10-11,16H,2-9H2,1H3
InChIKeyWKUDVWPCOCYJTK-UHFFFAOYSA-N
MW269.38 g/mol
LogP3.98
Rot. Bonds6

About 1-cyclohexylsulfanyl-5,5,5-trifluoro-N-methylpentan-2-amine

1-cyclohexylsulfanyl-5,5,5-trifluoro-N-methylpentan-2-amine (PubChem CID 65140058) has the molecular formula C12H22F3NS and a molecular weight of 269.38 g/mol. Its IUPAC name is 1-cyclohexylsulfanyl-5,5,5-trifluoro-N-methylpentan-2-amine.

Molecular Properties

Compound Name1-cyclohexylsulfanyl-5,5,5-trifluoro-N-methylpentan-2-amine
PubChem CID65140058
Molecular FormulaC12H22F3NS
Molecular Weight269.38 g/mol
Exact Mass269.14
IUPAC Name1-cyclohexylsulfanyl-5,5,5-trifluoro-N-methylpentan-2-amine
SMILESCNC(CCC(F)(F)F)CSC1CCCCC1
InChIInChI=1S/C12H22F3NS/c1-16-10(7-8-12(13,14)15)9-17-11-5-3-2-4-6-11/h10-11,16H,2-9H2,1H3
InChIKeyWKUDVWPCOCYJTK-UHFFFAOYSA-N
XLogP3.98
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.38
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Launch Full Analysis

Related Compounds

1-cyclohexylsulfanyl-N-methyloctan-2-amine
CID 65139910
1-cyclopentylsulfanyl-N-methyloctan-2-amine
CID 65138560
1-cyclohexylsulfanyl-N,4-dimethylhexan-2-amine
CID 65139959
1-cyclohexylsulfanyl-N,3,3-trimethylbutan-2-amine
CID 64632835
(1-cyclohexylsulfanyl-5-methoxy-5-methylhexan-2-yl)hydrazine
CID 103026778
1-cyclohexylsulfanyl-N-methyl-3-propoxypropan-2-amine
CID 79575231
5,5,5-trifluoro-N-methyl-1-propan-2-ylsulfanylpentan-2-amine
CID 65131713
1-cyclopentylsulfanyl-3-(4-fluorophenyl)-N-methylpropan-2-amine
CID 65138877
1-cyclohexylsulfanyl-3-(4-iodophenyl)-N-methylpropan-2-amine
CID 65479375
1-cyclohexylsulfanyl-3-(5-fluoro-2-methylphenyl)-N-methylpropan-2-amine
CID 105373963
6,6,6-trifluoro-N-methylhexan-3-amine
CID 64566390
5,5,5-trifluoro-N-methyl-1-(oxolan-2-yl)pentan-2-amine
CID 64564943

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexylsulfanyl-5,5,5-trifluoro-N-methylpentan-2-amine?
The IUPAC name of 1-cyclohexylsulfanyl-5,5,5-trifluoro-N-methylpentan-2-amine (CID 65140058) is 1-cyclohexylsulfanyl-5,5,5-trifluoro-N-methylpentan-2-amine.
What is the SMILES notation for 1-cyclohexylsulfanyl-5,5,5-trifluoro-N-methylpentan-2-amine?
The canonical SMILES for 1-cyclohexylsulfanyl-5,5,5-trifluoro-N-methylpentan-2-amine is CNC(CCC(F)(F)F)CSC1CCCCC1.
What is the InChIKey of 1-cyclohexylsulfanyl-5,5,5-trifluoro-N-methylpentan-2-amine?
The InChIKey is WKUDVWPCOCYJTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F3NS/c1-16-10(7-8-12(13,14)15)9-17-11-5-3-2-4-6-11/h10-11,16H,2-9H2,1H3.
What are the key properties of 1-cyclohexylsulfanyl-5,5,5-trifluoro-N-methylpentan-2-amine?
1-cyclohexylsulfanyl-5,5,5-trifluoro-N-methylpentan-2-amine has a molecular weight of 269.38 g/mol, XLogP of 3.98, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexylsulfanyl-5,5,5-trifluoro-N-methylpentan-2-amine is sourced from PubChem (CID 65140058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).