2-(cyclopentylmethylsulfanyl)-3,3,3-trifluoropropan-1-amine

C9H16F3NS — CID 63119330

IUPAC2-(cyclopentylmethylsulfanyl)-3,3,3-trifluoropropan-1-amine
SMILESNCC(SCC1CCCC1)C(F)(F)F
InChIInChI=1S/C9H16F3NS/c10-9(11,12)8(5-13)14-6-7-3-1-2-4-7/h7-8H,1-6,13H2
InChIKeyUOVCDSUADRWDJI-UHFFFAOYSA-N
MW227.29 g/mol
LogP2.80
Rot. Bonds4

About 2-(cyclopentylmethylsulfanyl)-3,3,3-trifluoropropan-1-amine

2-(cyclopentylmethylsulfanyl)-3,3,3-trifluoropropan-1-amine (PubChem CID 63119330) has the molecular formula C9H16F3NS and a molecular weight of 227.29 g/mol. Its IUPAC name is 2-(cyclopentylmethylsulfanyl)-3,3,3-trifluoropropan-1-amine.

Molecular Properties

Compound Name2-(cyclopentylmethylsulfanyl)-3,3,3-trifluoropropan-1-amine
PubChem CID63119330
Molecular FormulaC9H16F3NS
Molecular Weight227.29 g/mol
Exact Mass227.10
IUPAC Name2-(cyclopentylmethylsulfanyl)-3,3,3-trifluoropropan-1-amine
SMILESNCC(SCC1CCCC1)C(F)(F)F
InChIInChI=1S/C9H16F3NS/c10-9(11,12)8(5-13)14-6-7-3-1-2-4-7/h7-8H,1-6,13H2
InChIKeyUOVCDSUADRWDJI-UHFFFAOYSA-N
XLogP2.80
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.29
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(4S)-3,4-dimethyl-5-(2,2,2-trifluoroethyl)thiolan-2-yl]methanamine
CID 173844600
2-(Cyclopentylmethylsulfanyl)-1,1,1-trifluoropentan-3-amine
CID 63119275
3-(Cyclopentylmethylsulfanyl)-4,4,4-trifluorobutan-2-amine
CID 63119283
3-(Cyclopentylmethylsulfanyl)-4,4,4-trifluorobutan-1-amine
CID 63119757
2-(cyclopentylmethylsulfanyl)-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 63119998
N-[2-(cyclopentylmethylsulfanyl)ethyl]-2,2,2-trifluoroethanamine
CID 63120022
3-(Cyclopentylmethylsulfinyl)-4,4,4-trifluorobutan-1-amine
CID 81333902
2-(Cyclopentylsulfanylmethyl)-3,3,3-trifluoropropan-1-amine
CID 103371682
2-(Cyclopentylmethylsulfanylmethyl)-3,3,3-trifluoropropan-1-amine
CID 103371683
2-(Cyclopentylmethylsulfonylmethyl)-3,3,3-trifluoropropan-1-amine
CID 103372553
2-(Cyclopentylmethylsulfinylmethyl)-3,3,3-trifluoropropan-1-amine
CID 103372593
3-(4,4-Difluorothiolan-3-yl)propan-1-amine
CID 105439600

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopentylmethylsulfanyl)-3,3,3-trifluoropropan-1-amine?
The IUPAC name of 2-(cyclopentylmethylsulfanyl)-3,3,3-trifluoropropan-1-amine (CID 63119330) is 2-(cyclopentylmethylsulfanyl)-3,3,3-trifluoropropan-1-amine.
What is the SMILES notation for 2-(cyclopentylmethylsulfanyl)-3,3,3-trifluoropropan-1-amine?
The canonical SMILES for 2-(cyclopentylmethylsulfanyl)-3,3,3-trifluoropropan-1-amine is NCC(SCC1CCCC1)C(F)(F)F.
What is the InChIKey of 2-(cyclopentylmethylsulfanyl)-3,3,3-trifluoropropan-1-amine?
The InChIKey is UOVCDSUADRWDJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NS/c10-9(11,12)8(5-13)14-6-7-3-1-2-4-7/h7-8H,1-6,13H2.
What are the key properties of 2-(cyclopentylmethylsulfanyl)-3,3,3-trifluoropropan-1-amine?
2-(cyclopentylmethylsulfanyl)-3,3,3-trifluoropropan-1-amine has a molecular weight of 227.29 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopentylmethylsulfanyl)-3,3,3-trifluoropropan-1-amine is sourced from PubChem (CID 63119330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).