3-(2,5-difluorophenyl)sulfinyl-N-ethyl-2-methylcyclopentan-1-amine

C14H19F2NOS — CID 64905728

IUPAC3-(2,5-difluorophenyl)sulfinyl-N-ethyl-2-methylcyclopentan-1-amine
SMILESCCNC1CCC(S(=O)c2cc(F)ccc2F)C1C
InChIInChI=1S/C14H19F2NOS/c1-3-17-12-6-7-13(9(12)2)19(18)14-8-10(15)4-5-11(14)16/h4-5,8-9,12-13,17H,3,6-7H2,1-2H3
InChIKeyIQXGGJYZSJNKQL-UHFFFAOYSA-N
MW287.37 g/mol
LogP2.85
Rot. Bonds4

About 3-(2,5-difluorophenyl)sulfinyl-N-ethyl-2-methylcyclopentan-1-amine

3-(2,5-difluorophenyl)sulfinyl-N-ethyl-2-methylcyclopentan-1-amine (PubChem CID 64905728) has the molecular formula C14H19F2NOS and a molecular weight of 287.37 g/mol. Its IUPAC name is 3-(2,5-difluorophenyl)sulfinyl-N-ethyl-2-methylcyclopentan-1-amine.

Molecular Properties

Compound Name3-(2,5-difluorophenyl)sulfinyl-N-ethyl-2-methylcyclopentan-1-amine
PubChem CID64905728
Molecular FormulaC14H19F2NOS
Molecular Weight287.37 g/mol
Exact Mass287.12
IUPAC Name3-(2,5-difluorophenyl)sulfinyl-N-ethyl-2-methylcyclopentan-1-amine
SMILESCCNC1CCC(S(=O)c2cc(F)ccc2F)C1C
InChIInChI=1S/C14H19F2NOS/c1-3-17-12-6-7-13(9(12)2)19(18)14-8-10(15)4-5-11(14)16/h4-5,8-9,12-13,17H,3,6-7H2,1-2H3
InChIKeyIQXGGJYZSJNKQL-UHFFFAOYSA-N
XLogP2.85
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,5-difluorophenyl)sulfinyl-N-propylcyclohexan-1-amine
CID 64652067
3-(3-chlorophenyl)sulfinyl-N-ethyl-2-methylcyclopentan-1-amine
CID 64904089
3-(3-chloro-4-fluorophenyl)sulfinyl-2-methyl-N-propylcyclopentan-1-amine
CID 115477312
2-(2,5-dichlorophenyl)sulfinyl-N-ethylcyclopentan-1-amine
CID 64657347
2-(2,4-difluorophenyl)sulfinyl-N-propylcycloheptan-1-amine
CID 64651180
2-[2-(2,5-difluorophenyl)sulfinylethyl]-N-propylcyclopentan-1-amine
CID 79587610
2-(2,5-difluorophenyl)sulfonyl-N-ethylcyclopentan-1-amine
CID 64645531
3-(2,4-difluorophenyl)sulfinyl-N-ethylcyclohexan-1-amine
CID 64717560
2-(2,5-difluorophenyl)sulfinyl-4-methylcyclohexane-1-carbonitrile
CID 64691937
3-[(2-chloro-5-fluorophenyl)methyl]-N-ethyl-2-methylcyclopentan-1-amine
CID 102620493
2-(2,5-dimethylphenyl)sulfinyl-N-ethylcyclopentan-1-amine
CID 64658501
2-(2,5-difluorophenyl)sulfonyl-N-ethylcycloheptan-1-amine
CID 64645332

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-difluorophenyl)sulfinyl-N-ethyl-2-methylcyclopentan-1-amine?
The IUPAC name of 3-(2,5-difluorophenyl)sulfinyl-N-ethyl-2-methylcyclopentan-1-amine (CID 64905728) is 3-(2,5-difluorophenyl)sulfinyl-N-ethyl-2-methylcyclopentan-1-amine.
What is the SMILES notation for 3-(2,5-difluorophenyl)sulfinyl-N-ethyl-2-methylcyclopentan-1-amine?
The canonical SMILES for 3-(2,5-difluorophenyl)sulfinyl-N-ethyl-2-methylcyclopentan-1-amine is CCNC1CCC(S(=O)c2cc(F)ccc2F)C1C.
What is the InChIKey of 3-(2,5-difluorophenyl)sulfinyl-N-ethyl-2-methylcyclopentan-1-amine?
The InChIKey is IQXGGJYZSJNKQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2NOS/c1-3-17-12-6-7-13(9(12)2)19(18)14-8-10(15)4-5-11(14)16/h4-5,8-9,12-13,17H,3,6-7H2,1-2H3.
What are the key properties of 3-(2,5-difluorophenyl)sulfinyl-N-ethyl-2-methylcyclopentan-1-amine?
3-(2,5-difluorophenyl)sulfinyl-N-ethyl-2-methylcyclopentan-1-amine has a molecular weight of 287.37 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-difluorophenyl)sulfinyl-N-ethyl-2-methylcyclopentan-1-amine is sourced from PubChem (CID 64905728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).