1-cyclopentylsulfanyl-3-(2,6-difluorophenyl)propan-2-amine

C14H19F2NS — CID 114932106

IUPAC1-cyclopentylsulfanyl-3-(2,6-difluorophenyl)propan-2-amine
SMILESNC(CSC1CCCC1)Cc1c(F)cccc1F
InChIInChI=1S/C14H19F2NS/c15-13-6-3-7-14(16)12(13)8-10(17)9-18-11-4-1-2-5-11/h3,6-7,10-11H,1-2,4-5,8-9,17H2
InChIKeyPMRZWZQKYSSDEC-UHFFFAOYSA-N
MW271.38 g/mol
LogP3.51
Rot. Bonds5

About 1-cyclopentylsulfanyl-3-(2,6-difluorophenyl)propan-2-amine

1-cyclopentylsulfanyl-3-(2,6-difluorophenyl)propan-2-amine (PubChem CID 114932106) has the molecular formula C14H19F2NS and a molecular weight of 271.38 g/mol. Its IUPAC name is 1-cyclopentylsulfanyl-3-(2,6-difluorophenyl)propan-2-amine.

Molecular Properties

Compound Name1-cyclopentylsulfanyl-3-(2,6-difluorophenyl)propan-2-amine
PubChem CID114932106
Molecular FormulaC14H19F2NS
Molecular Weight271.38 g/mol
Exact Mass271.12
IUPAC Name1-cyclopentylsulfanyl-3-(2,6-difluorophenyl)propan-2-amine
SMILESNC(CSC1CCCC1)Cc1c(F)cccc1F
InChIInChI=1S/C14H19F2NS/c15-13-6-3-7-14(16)12(13)8-10(17)9-18-11-4-1-2-5-11/h3,6-7,10-11H,1-2,4-5,8-9,17H2
InChIKeyPMRZWZQKYSSDEC-UHFFFAOYSA-N
XLogP3.51
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.38
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclohexylsulfanyl-3-(2-fluorophenyl)propan-2-amine
CID 65139996
1-cyclohexylsulfanyl-3-(4-fluorophenyl)propan-2-amine
CID 65139947
1-cyclohexylsulfanyl-3-(2,6-difluorophenyl)-N-ethylpropan-2-amine
CID 114932112
1-cyclohexylsulfanyl-3-(2,4-difluorophenyl)propan-2-amine
CID 65139451
1-(4-bromo-2-fluorophenyl)-3-cyclopentylsulfanylpropan-2-amine
CID 65138710
1-(4-chlorophenyl)-3-cyclohexylsulfanylpropan-2-amine
CID 65139954
1-(2,6-difluorophenyl)-3-(4-fluorophenyl)sulfanylpropan-2-amine
CID 114932196
[1-(2-bromo-3-fluorophenyl)-3-cyclopentylsulfanylpropan-2-yl]hydrazine
CID 105227417
1-butan-2-ylsulfanyl-3-(2,6-difluorophenyl)propan-2-amine
CID 114932102
1-(4-chlorophenyl)sulfanyl-3-(2,6-difluorophenyl)propan-2-amine
CID 114932224
2-cyclopentylsulfanyl-1-(2,5-difluorophenyl)ethanamine
CID 65139295
1-cyclopentylsulfanyl-3-(4-phenyl-1,3-thiazol-2-yl)propan-2-amine
CID 79825749

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentylsulfanyl-3-(2,6-difluorophenyl)propan-2-amine?
The IUPAC name of 1-cyclopentylsulfanyl-3-(2,6-difluorophenyl)propan-2-amine (CID 114932106) is 1-cyclopentylsulfanyl-3-(2,6-difluorophenyl)propan-2-amine.
What is the SMILES notation for 1-cyclopentylsulfanyl-3-(2,6-difluorophenyl)propan-2-amine?
The canonical SMILES for 1-cyclopentylsulfanyl-3-(2,6-difluorophenyl)propan-2-amine is NC(CSC1CCCC1)Cc1c(F)cccc1F.
What is the InChIKey of 1-cyclopentylsulfanyl-3-(2,6-difluorophenyl)propan-2-amine?
The InChIKey is PMRZWZQKYSSDEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2NS/c15-13-6-3-7-14(16)12(13)8-10(17)9-18-11-4-1-2-5-11/h3,6-7,10-11H,1-2,4-5,8-9,17H2.
What are the key properties of 1-cyclopentylsulfanyl-3-(2,6-difluorophenyl)propan-2-amine?
1-cyclopentylsulfanyl-3-(2,6-difluorophenyl)propan-2-amine has a molecular weight of 271.38 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentylsulfanyl-3-(2,6-difluorophenyl)propan-2-amine is sourced from PubChem (CID 114932106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).