1-cyclopentyl-4-(trifluoromethylsulfanyl)butan-1-amine

C10H18F3NS — CID 116616716

IUPAC1-cyclopentyl-4-(trifluoromethylsulfanyl)butan-1-amine
SMILESNC(CCCSC(F)(F)F)C1CCCC1
InChIInChI=1S/C10H18F3NS/c11-10(12,13)15-7-3-6-9(14)8-4-1-2-5-8/h8-9H,1-7,14H2
InChIKeyVYVMLQNVWBVOCP-UHFFFAOYSA-N
MW241.32 g/mol
LogP3.54
Rot. Bonds5

About 1-cyclopentyl-4-(trifluoromethylsulfanyl)butan-1-amine

1-cyclopentyl-4-(trifluoromethylsulfanyl)butan-1-amine (PubChem CID 116616716) has the molecular formula C10H18F3NS and a molecular weight of 241.32 g/mol. Its IUPAC name is 1-cyclopentyl-4-(trifluoromethylsulfanyl)butan-1-amine.

Molecular Properties

Compound Name1-cyclopentyl-4-(trifluoromethylsulfanyl)butan-1-amine
PubChem CID116616716
Molecular FormulaC10H18F3NS
Molecular Weight241.32 g/mol
Exact Mass241.11
IUPAC Name1-cyclopentyl-4-(trifluoromethylsulfanyl)butan-1-amine
SMILESNC(CCCSC(F)(F)F)C1CCCC1
InChIInChI=1S/C10H18F3NS/c11-10(12,13)15-7-3-6-9(14)8-4-1-2-5-8/h8-9H,1-7,14H2
InChIKeyVYVMLQNVWBVOCP-UHFFFAOYSA-N
XLogP3.54
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.32
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

7-(Aminomethylsulfanyl)-3-(trifluoromethyl)heptan-2-amine
CID 129095905
1-(3,5-Dimethylthiolan-2-yl)-2,2,2-trifluoroethanamine
CID 163576724
2-(Cyclopentylmethylsulfanyl)-1,1,1-trifluoropentan-3-amine
CID 63119275
3-(Cyclopentylmethylsulfanyl)-4,4,4-trifluorobutan-2-amine
CID 63119283
2-(Cyclopentylmethylsulfanyl)-3,3,3-trifluoropropan-1-amine
CID 63119330
3-(Cyclopentylmethylsulfanyl)-4,4,4-trifluorobutan-1-amine
CID 63119757
2-(Cyclopentylmethylsulfanylmethyl)-3,3,3-trifluoropropan-1-amine
CID 103371683
4,4,4-Trifluoro-1-(2-methylthiolan-2-yl)butan-1-amine
CID 105156346
5,5,5-Trifluoro-1-(thian-4-yl)pentan-2-amine
CID 105156348
4,4,4-Trifluoro-1-(thiolan-3-yl)butan-1-amine
CID 105156443
5,5,5-Trifluoro-1-(2-methylthiolan-2-yl)pentan-1-amine
CID 105174337
6,6,6-Trifluoro-1-(thian-4-yl)hexan-2-amine
CID 105174339

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-4-(trifluoromethylsulfanyl)butan-1-amine?
The IUPAC name of 1-cyclopentyl-4-(trifluoromethylsulfanyl)butan-1-amine (CID 116616716) is 1-cyclopentyl-4-(trifluoromethylsulfanyl)butan-1-amine.
What is the SMILES notation for 1-cyclopentyl-4-(trifluoromethylsulfanyl)butan-1-amine?
The canonical SMILES for 1-cyclopentyl-4-(trifluoromethylsulfanyl)butan-1-amine is NC(CCCSC(F)(F)F)C1CCCC1.
What is the InChIKey of 1-cyclopentyl-4-(trifluoromethylsulfanyl)butan-1-amine?
The InChIKey is VYVMLQNVWBVOCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NS/c11-10(12,13)15-7-3-6-9(14)8-4-1-2-5-8/h8-9H,1-7,14H2.
What are the key properties of 1-cyclopentyl-4-(trifluoromethylsulfanyl)butan-1-amine?
1-cyclopentyl-4-(trifluoromethylsulfanyl)butan-1-amine has a molecular weight of 241.32 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-4-(trifluoromethylsulfanyl)butan-1-amine is sourced from PubChem (CID 116616716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).