[1-(3-fluorophenyl)sulfanylcyclopropyl]methanamine

C10H12FNS — CID 66071413

IUPAC[1-(3-fluorophenyl)sulfanylcyclopropyl]methanamine
SMILESNCC1(Sc2cccc(F)c2)CC1
InChIInChI=1S/C10H12FNS/c11-8-2-1-3-9(6-8)13-10(7-12)4-5-10/h1-3,6H,4-5,7,12H2
InChIKeyXPSMXEPUQCJGFR-UHFFFAOYSA-N
MW197.28 g/mol
LogP2.41
Rot. Bonds3

About [1-(3-fluorophenyl)sulfanylcyclopropyl]methanamine

[1-(3-fluorophenyl)sulfanylcyclopropyl]methanamine (PubChem CID 66071413) has the molecular formula C10H12FNS and a molecular weight of 197.28 g/mol. Its IUPAC name is [1-(3-fluorophenyl)sulfanylcyclopropyl]methanamine.

Molecular Properties

Compound Name[1-(3-fluorophenyl)sulfanylcyclopropyl]methanamine
PubChem CID66071413
Molecular FormulaC10H12FNS
Molecular Weight197.28 g/mol
Exact Mass197.07
IUPAC Name[1-(3-fluorophenyl)sulfanylcyclopropyl]methanamine
SMILESNCC1(Sc2cccc(F)c2)CC1
InChIInChI=1S/C10H12FNS/c11-8-2-1-3-9(6-8)13-10(7-12)4-5-10/h1-3,6H,4-5,7,12H2
InChIKeyXPSMXEPUQCJGFR-UHFFFAOYSA-N
XLogP2.41
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(3-fluorophenyl)sulfanyl-4-methylcyclohexyl]methanamine
CID 66071209
3-(aminomethyl)-3-(3-fluorophenyl)sulfanylcyclobutan-1-one
CID 66071005
[1-(4-fluorophenyl)sulfanylcyclobutyl]methanamine
CID 66071975
[5-(3-methylphenyl)sulfanylspiro[2.3]hexan-5-yl]methanamine
CID 66110003
[1-(4-fluoro-3-methylphenyl)sulfanylcyclobutyl]methanamine
CID 117034948
[1-(4-chloro-3-methylphenyl)sulfanylcyclopropyl]methanamine
CID 117034858
1-[2-(3-fluorophenyl)sulfanylethyl]cyclopropan-1-amine
CID 84781889
(3-fluorophenyl) thiohypobromite
CID 173469120
1-(3-fluorophenyl)sulfanylcyclohexane-1-carboxylic acid
CID 66070175
3-(3-fluorophenyl)sulfanylpropan-1-amine
CID 70244905
2-(3-fluorophenyl)sulfanylspiro[3.5]nonane-2-carbonitrile
CID 66070791
3,3-diethyl-1-(3-fluorophenyl)sulfanylcyclobutane-1-carbonitrile
CID 66070790

Frequently Asked Questions

What is the IUPAC name of [1-(3-fluorophenyl)sulfanylcyclopropyl]methanamine?
The IUPAC name of [1-(3-fluorophenyl)sulfanylcyclopropyl]methanamine (CID 66071413) is [1-(3-fluorophenyl)sulfanylcyclopropyl]methanamine.
What is the SMILES notation for [1-(3-fluorophenyl)sulfanylcyclopropyl]methanamine?
The canonical SMILES for [1-(3-fluorophenyl)sulfanylcyclopropyl]methanamine is NCC1(Sc2cccc(F)c2)CC1.
What is the InChIKey of [1-(3-fluorophenyl)sulfanylcyclopropyl]methanamine?
The InChIKey is XPSMXEPUQCJGFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FNS/c11-8-2-1-3-9(6-8)13-10(7-12)4-5-10/h1-3,6H,4-5,7,12H2.
What are the key properties of [1-(3-fluorophenyl)sulfanylcyclopropyl]methanamine?
[1-(3-fluorophenyl)sulfanylcyclopropyl]methanamine has a molecular weight of 197.28 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-fluorophenyl)sulfanylcyclopropyl]methanamine is sourced from PubChem (CID 66071413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).