[2-(2-fluorophenyl)sulfanylspiro[3.6]decan-2-yl]methanamine

C17H24FNS — CID 66096585

IUPAC[2-(2-fluorophenyl)sulfanylspiro[3.6]decan-2-yl]methanamine
SMILESNCC1(Sc2ccccc2F)CC2(CCCCCC2)C1
InChIInChI=1S/C17H24FNS/c18-14-7-3-4-8-15(14)20-17(13-19)11-16(12-17)9-5-1-2-6-10-16/h3-4,7-8H,1-2,5-6,9-13,19H2
InChIKeyVAAKTFYTDVUKEW-UHFFFAOYSA-N
MW293.45 g/mol
LogP4.75
Rot. Bonds3

About [2-(2-fluorophenyl)sulfanylspiro[3.6]decan-2-yl]methanamine

[2-(2-fluorophenyl)sulfanylspiro[3.6]decan-2-yl]methanamine (PubChem CID 66096585) has the molecular formula C17H24FNS and a molecular weight of 293.45 g/mol. Its IUPAC name is [2-(2-fluorophenyl)sulfanylspiro[3.6]decan-2-yl]methanamine.

Molecular Properties

Compound Name[2-(2-fluorophenyl)sulfanylspiro[3.6]decan-2-yl]methanamine
PubChem CID66096585
Molecular FormulaC17H24FNS
Molecular Weight293.45 g/mol
Exact Mass293.16
IUPAC Name[2-(2-fluorophenyl)sulfanylspiro[3.6]decan-2-yl]methanamine
SMILESNCC1(Sc2ccccc2F)CC2(CCCCCC2)C1
InChIInChI=1S/C17H24FNS/c18-14-7-3-4-8-15(14)20-17(13-19)11-16(12-17)9-5-1-2-6-10-16/h3-4,7-8H,1-2,5-6,9-13,19H2
InChIKeyVAAKTFYTDVUKEW-UHFFFAOYSA-N
XLogP4.75
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.45
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(2-fluorophenyl)sulfanylspiro[3.3]heptan-2-yl]methanamine
CID 66096162
(2-phenylsulfanylspiro[3.3]heptan-2-yl)methanamine
CID 65141808
[1-(2-fluorophenyl)sulfanyl-3-phenylcyclobutyl]methanamine
CID 66096998
[2-(2-fluorophenyl)spiro[3.4]octan-2-yl]methanamine
CID 65003215
[2-(2-chlorophenyl)sulfanyl-7-oxaspiro[3.5]nonan-2-yl]methanamine
CID 66155248
[2-(4-chlorophenyl)sulfanylspiro[3.3]heptan-2-yl]methanamine
CID 66142585
[2-(3-methylphenyl)sulfanylspiro[3.4]octan-2-yl]methanamine
CID 66112356
[2-(aminomethyl)-2-(2-fluorophenyl)sulfanylcyclopropyl]methanol
CID 82984157
[1-[2-(2-fluorophenyl)sulfanylethyl]cyclopropyl]methanamine
CID 84790406
[5-(2-fluorophenyl)spiro[2.3]hexan-5-yl]methanamine
CID 65008487
1-(2-fluorophenyl)sulfanylcyclobutane-1-carbonitrile
CID 66051682
[5-(3-methylphenyl)sulfanylspiro[2.3]hexan-5-yl]methanamine
CID 66110003

Frequently Asked Questions

What is the IUPAC name of [2-(2-fluorophenyl)sulfanylspiro[3.6]decan-2-yl]methanamine?
The IUPAC name of [2-(2-fluorophenyl)sulfanylspiro[3.6]decan-2-yl]methanamine (CID 66096585) is [2-(2-fluorophenyl)sulfanylspiro[3.6]decan-2-yl]methanamine.
What is the SMILES notation for [2-(2-fluorophenyl)sulfanylspiro[3.6]decan-2-yl]methanamine?
The canonical SMILES for [2-(2-fluorophenyl)sulfanylspiro[3.6]decan-2-yl]methanamine is NCC1(Sc2ccccc2F)CC2(CCCCCC2)C1.
What is the InChIKey of [2-(2-fluorophenyl)sulfanylspiro[3.6]decan-2-yl]methanamine?
The InChIKey is VAAKTFYTDVUKEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FNS/c18-14-7-3-4-8-15(14)20-17(13-19)11-16(12-17)9-5-1-2-6-10-16/h3-4,7-8H,1-2,5-6,9-13,19H2.
What are the key properties of [2-(2-fluorophenyl)sulfanylspiro[3.6]decan-2-yl]methanamine?
[2-(2-fluorophenyl)sulfanylspiro[3.6]decan-2-yl]methanamine has a molecular weight of 293.45 g/mol, XLogP of 4.75, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-fluorophenyl)sulfanylspiro[3.6]decan-2-yl]methanamine is sourced from PubChem (CID 66096585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).