[2-(2-fluorophenyl)sulfanylspiro[3.3]heptan-2-yl]methanamine

C14H18FNS — CID 66096162

IUPAC[2-(2-fluorophenyl)sulfanylspiro[3.3]heptan-2-yl]methanamine
SMILESNCC1(Sc2ccccc2F)CC2(CCC2)C1
InChIInChI=1S/C14H18FNS/c15-11-4-1-2-5-12(11)17-14(10-16)8-13(9-14)6-3-7-13/h1-2,4-5H,3,6-10,16H2
InChIKeyCZCCOJXTOOEVSI-UHFFFAOYSA-N
MW251.37 g/mol
LogP3.58
Rot. Bonds3

About [2-(2-fluorophenyl)sulfanylspiro[3.3]heptan-2-yl]methanamine

[2-(2-fluorophenyl)sulfanylspiro[3.3]heptan-2-yl]methanamine (PubChem CID 66096162) has the molecular formula C14H18FNS and a molecular weight of 251.37 g/mol. Its IUPAC name is [2-(2-fluorophenyl)sulfanylspiro[3.3]heptan-2-yl]methanamine.

Molecular Properties

Compound Name[2-(2-fluorophenyl)sulfanylspiro[3.3]heptan-2-yl]methanamine
PubChem CID66096162
Molecular FormulaC14H18FNS
Molecular Weight251.37 g/mol
Exact Mass251.11
IUPAC Name[2-(2-fluorophenyl)sulfanylspiro[3.3]heptan-2-yl]methanamine
SMILESNCC1(Sc2ccccc2F)CC2(CCC2)C1
InChIInChI=1S/C14H18FNS/c15-11-4-1-2-5-12(11)17-14(10-16)8-13(9-14)6-3-7-13/h1-2,4-5H,3,6-10,16H2
InChIKeyCZCCOJXTOOEVSI-UHFFFAOYSA-N
XLogP3.58
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(2-fluorophenyl)sulfanylspiro[3.6]decan-2-yl]methanamine
CID 66096585
(2-phenylsulfanylspiro[3.3]heptan-2-yl)methanamine
CID 65141808
[2-(4-chlorophenyl)sulfanylspiro[3.3]heptan-2-yl]methanamine
CID 66142585
[1-(2-fluorophenyl)sulfanyl-3-phenylcyclobutyl]methanamine
CID 66096998
[2-(2-chlorophenyl)sulfanyl-7-oxaspiro[3.5]nonan-2-yl]methanamine
CID 66155248
[2-(2-fluorophenyl)spiro[3.4]octan-2-yl]methanamine
CID 65003215
1-(2-fluorophenyl)sulfanylcyclobutane-1-carbonitrile
CID 66051682
[2-(aminomethyl)-2-(2-fluorophenyl)sulfanylcyclopropyl]methanol
CID 82984157
[2-(3-methylphenyl)sulfanylspiro[3.4]octan-2-yl]methanamine
CID 66112356
[1-[2-(2-fluorophenyl)sulfanylethyl]cyclopropyl]methanamine
CID 84790406
[5-(2-fluorophenyl)spiro[2.3]hexan-5-yl]methanamine
CID 65008487
[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[3.3]heptan-2-yl]methanamine?
The IUPAC name of [2-(2-fluorophenyl)sulfanylspiro[3.3]heptan-2-yl]methanamine (CID 66096162) is [2-(2-fluorophenyl)sulfanylspiro[3.3]heptan-2-yl]methanamine.
What is the SMILES notation for [2-(2-fluorophenyl)sulfanylspiro[3.3]heptan-2-yl]methanamine?
The canonical SMILES for [2-(2-fluorophenyl)sulfanylspiro[3.3]heptan-2-yl]methanamine is NCC1(Sc2ccccc2F)CC2(CCC2)C1.
What is the InChIKey of [2-(2-fluorophenyl)sulfanylspiro[3.3]heptan-2-yl]methanamine?
The InChIKey is CZCCOJXTOOEVSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNS/c15-11-4-1-2-5-12(11)17-14(10-16)8-13(9-14)6-3-7-13/h1-2,4-5H,3,6-10,16H2.
What are the key properties of [2-(2-fluorophenyl)sulfanylspiro[3.3]heptan-2-yl]methanamine?
[2-(2-fluorophenyl)sulfanylspiro[3.3]heptan-2-yl]methanamine has a molecular weight of 251.37 g/mol, XLogP of 3.58, 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[3.3]heptan-2-yl]methanamine is sourced from PubChem (CID 66096162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).