[2-(3-chloro-4-fluorophenyl)sulfinylcycloheptyl]methanamine

C14H19ClFNOS — CID 115477515

IUPAC[2-(3-chloro-4-fluorophenyl)sulfinylcycloheptyl]methanamine
SMILESNCC1CCCCCC1S(=O)c1ccc(F)c(Cl)c1
InChIInChI=1S/C14H19ClFNOS/c15-12-8-11(6-7-13(12)16)19(18)14-5-3-1-2-4-10(14)9-17/h6-8,10,14H,1-5,9,17H2
InChIKeyUVMFWFNCYCMQPQ-UHFFFAOYSA-N
MW303.83 g/mol
LogP3.49
Rot. Bonds3

About [2-(3-chloro-4-fluorophenyl)sulfinylcycloheptyl]methanamine

[2-(3-chloro-4-fluorophenyl)sulfinylcycloheptyl]methanamine (PubChem CID 115477515) has the molecular formula C14H19ClFNOS and a molecular weight of 303.83 g/mol. Its IUPAC name is [2-(3-chloro-4-fluorophenyl)sulfinylcycloheptyl]methanamine.

Molecular Properties

Compound Name[2-(3-chloro-4-fluorophenyl)sulfinylcycloheptyl]methanamine
PubChem CID115477515
Molecular FormulaC14H19ClFNOS
Molecular Weight303.83 g/mol
Exact Mass303.09
IUPAC Name[2-(3-chloro-4-fluorophenyl)sulfinylcycloheptyl]methanamine
SMILESNCC1CCCCCC1S(=O)c1ccc(F)c(Cl)c1
InChIInChI=1S/C14H19ClFNOS/c15-12-8-11(6-7-13(12)16)19(18)14-5-3-1-2-4-10(14)9-17/h6-8,10,14H,1-5,9,17H2
InChIKeyUVMFWFNCYCMQPQ-UHFFFAOYSA-N
XLogP3.49
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.83
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(3-chloro-4-fluorophenyl)sulfinylcyclopentyl]methanamine
CID 115477506
[2-(3,4-dichlorophenyl)sulfinylcyclopentyl]methanamine
CID 81333789
2-(3-chloro-4-fluorophenyl)sulfinylcyclopentane-1-carbonitrile
CID 115477472
[2-(4-tert-butylphenyl)sulfinylcyclohexyl]methanamine
CID 81328026
[2-(3-bromophenyl)sulfinylcyclohexyl]methanamine
CID 81334124
[2-(4-methylsulfonylphenyl)sulfinylcycloheptyl]methanamine
CID 81333740
5-(3-chloro-4-fluorophenyl)sulfinyl-2,2-dimethylcyclopentan-1-amine
CID 115477293
2-(3-chloro-4-fluorophenyl)sulfinylcyclopentan-1-one
CID 115477455
(2-thiophen-2-ylsulfinylcycloheptyl)methanamine
CID 81328024
3-(3-chloro-4-fluorophenyl)sulfinyl-2-methyl-N-propylcyclopentan-1-amine
CID 115477312
[2-(2-methylphenyl)sulfinylcycloheptyl]methanamine
CID 81328475
2-(3-chloro-4-fluorophenyl)sulfinyl-4-methyl-N-propylcyclohexan-1-amine
CID 115477286

Frequently Asked Questions

What is the IUPAC name of [2-(3-chloro-4-fluorophenyl)sulfinylcycloheptyl]methanamine?
The IUPAC name of [2-(3-chloro-4-fluorophenyl)sulfinylcycloheptyl]methanamine (CID 115477515) is [2-(3-chloro-4-fluorophenyl)sulfinylcycloheptyl]methanamine.
What is the SMILES notation for [2-(3-chloro-4-fluorophenyl)sulfinylcycloheptyl]methanamine?
The canonical SMILES for [2-(3-chloro-4-fluorophenyl)sulfinylcycloheptyl]methanamine is NCC1CCCCCC1S(=O)c1ccc(F)c(Cl)c1.
What is the InChIKey of [2-(3-chloro-4-fluorophenyl)sulfinylcycloheptyl]methanamine?
The InChIKey is UVMFWFNCYCMQPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClFNOS/c15-12-8-11(6-7-13(12)16)19(18)14-5-3-1-2-4-10(14)9-17/h6-8,10,14H,1-5,9,17H2.
What are the key properties of [2-(3-chloro-4-fluorophenyl)sulfinylcycloheptyl]methanamine?
[2-(3-chloro-4-fluorophenyl)sulfinylcycloheptyl]methanamine has a molecular weight of 303.83 g/mol, XLogP of 3.49, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-chloro-4-fluorophenyl)sulfinylcycloheptyl]methanamine is sourced from PubChem (CID 115477515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).