1-cyclopentyl-3-(3-fluorophenyl)sulfanyl-N-propylpropan-2-amine

C17H26FNS — CID 66073314

IUPAC1-cyclopentyl-3-(3-fluorophenyl)sulfanyl-N-propylpropan-2-amine
SMILESCCCNC(CSc1cccc(F)c1)CC1CCCC1
InChIInChI=1S/C17H26FNS/c1-2-10-19-16(11-14-6-3-4-7-14)13-20-17-9-5-8-15(18)12-17/h5,8-9,12,14,16,19H,2-4,6-7,10-11,13H2,1H3
InChIKeyWIDIRWDQCIDTNC-UHFFFAOYSA-N
MW295.47 g/mol
LogP4.87
Rot. Bonds8

About 1-cyclopentyl-3-(3-fluorophenyl)sulfanyl-N-propylpropan-2-amine

1-cyclopentyl-3-(3-fluorophenyl)sulfanyl-N-propylpropan-2-amine (PubChem CID 66073314) has the molecular formula C17H26FNS and a molecular weight of 295.47 g/mol. Its IUPAC name is 1-cyclopentyl-3-(3-fluorophenyl)sulfanyl-N-propylpropan-2-amine.

Molecular Properties

Compound Name1-cyclopentyl-3-(3-fluorophenyl)sulfanyl-N-propylpropan-2-amine
PubChem CID66073314
Molecular FormulaC17H26FNS
Molecular Weight295.47 g/mol
Exact Mass295.18
IUPAC Name1-cyclopentyl-3-(3-fluorophenyl)sulfanyl-N-propylpropan-2-amine
SMILESCCCNC(CSc1cccc(F)c1)CC1CCCC1
InChIInChI=1S/C17H26FNS/c1-2-10-19-16(11-14-6-3-4-7-14)13-20-17-9-5-8-15(18)12-17/h5,8-9,12,14,16,19H,2-4,6-7,10-11,13H2,1H3
InChIKeyWIDIRWDQCIDTNC-UHFFFAOYSA-N
XLogP4.87
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.47
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-fluorophenyl)sulfanyl-N-propylpentan-2-amine
CID 66071041
1-(3-fluorophenyl)sulfanyl-N-propyloctan-2-amine
CID 66070622
[1-(3-fluorophenyl)sulfanyl-3-(oxan-4-yl)propan-2-yl]hydrazine
CID 105236374
1-cyclopentyl-3-(2-methylphenyl)sulfanyl-N-propylpropan-2-amine
CID 66096136
1-(3-fluorophenyl)sulfanyl-5-methoxy-5-methyl-N-propylhexan-2-amine
CID 103035763
1-cyclobutyl-N-ethyl-3-(3-methylphenyl)sulfanylpropan-2-amine
CID 66087783
1-(3-fluorophenyl)sulfanyl-N-propyl-3-thiophen-3-ylpropan-2-amine
CID 66073110
1-(5-chlorothiophen-2-yl)-3-(3-fluorophenyl)sulfanyl-N-propylpropan-2-amine
CID 66071861
1-(5-bromothiophen-2-yl)-3-(3-fluorophenyl)sulfanyl-N-propylpropan-2-amine
CID 66071857
N-ethyl-1-(3-fluorophenyl)sulfanylnonan-2-amine
CID 66071669
1-(3-fluorophenyl)sulfanyl-3-methyl-N-propylbut-3-en-2-amine
CID 79177973
1-(3-fluorophenyl)sulfanyl-3-(1-methyltriazol-4-yl)-N-propylpropan-2-amine
CID 107049649

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-(3-fluorophenyl)sulfanyl-N-propylpropan-2-amine?
The IUPAC name of 1-cyclopentyl-3-(3-fluorophenyl)sulfanyl-N-propylpropan-2-amine (CID 66073314) is 1-cyclopentyl-3-(3-fluorophenyl)sulfanyl-N-propylpropan-2-amine.
What is the SMILES notation for 1-cyclopentyl-3-(3-fluorophenyl)sulfanyl-N-propylpropan-2-amine?
The canonical SMILES for 1-cyclopentyl-3-(3-fluorophenyl)sulfanyl-N-propylpropan-2-amine is CCCNC(CSc1cccc(F)c1)CC1CCCC1.
What is the InChIKey of 1-cyclopentyl-3-(3-fluorophenyl)sulfanyl-N-propylpropan-2-amine?
The InChIKey is WIDIRWDQCIDTNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26FNS/c1-2-10-19-16(11-14-6-3-4-7-14)13-20-17-9-5-8-15(18)12-17/h5,8-9,12,14,16,19H,2-4,6-7,10-11,13H2,1H3.
What are the key properties of 1-cyclopentyl-3-(3-fluorophenyl)sulfanyl-N-propylpropan-2-amine?
1-cyclopentyl-3-(3-fluorophenyl)sulfanyl-N-propylpropan-2-amine has a molecular weight of 295.47 g/mol, XLogP of 4.87, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-(3-fluorophenyl)sulfanyl-N-propylpropan-2-amine is sourced from PubChem (CID 66073314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).