5-(3,4-difluorophenyl)sulfinyl-N,2,2-trimethylcyclopentan-1-amine

C14H19F2NOS — CID 79863147

IUPAC5-(3,4-difluorophenyl)sulfinyl-N,2,2-trimethylcyclopentan-1-amine
SMILESCNC1C(S(=O)c2ccc(F)c(F)c2)CCC1(C)C
InChIInChI=1S/C14H19F2NOS/c1-14(2)7-6-12(13(14)17-3)19(18)9-4-5-10(15)11(16)8-9/h4-5,8,12-13,17H,6-7H2,1-3H3
InChIKeyPVEHQGKTNBORMV-UHFFFAOYSA-N
MW287.38 g/mol
LogP2.85
Rot. Bonds3

About 5-(3,4-difluorophenyl)sulfinyl-N,2,2-trimethylcyclopentan-1-amine

5-(3,4-difluorophenyl)sulfinyl-N,2,2-trimethylcyclopentan-1-amine (PubChem CID 79863147) has the molecular formula C14H19F2NOS and a molecular weight of 287.38 g/mol. Its IUPAC name is 5-(3,4-difluorophenyl)sulfinyl-N,2,2-trimethylcyclopentan-1-amine.

Molecular Properties

Compound Name5-(3,4-difluorophenyl)sulfinyl-N,2,2-trimethylcyclopentan-1-amine
PubChem CID79863147
Molecular FormulaC14H19F2NOS
Molecular Weight287.38 g/mol
Exact Mass287.12
IUPAC Name5-(3,4-difluorophenyl)sulfinyl-N,2,2-trimethylcyclopentan-1-amine
SMILESCNC1C(S(=O)c2ccc(F)c(F)c2)CCC1(C)C
InChIInChI=1S/C14H19F2NOS/c1-14(2)7-6-12(13(14)17-3)19(18)9-4-5-10(15)11(16)8-9/h4-5,8,12-13,17H,6-7H2,1-3H3
InChIKeyPVEHQGKTNBORMV-UHFFFAOYSA-N
XLogP2.85
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(3,4-difluorophenyl)sulfinyl-N,2,2-trimethylcyclopentan-1-amine?
The IUPAC name of 5-(3,4-difluorophenyl)sulfinyl-N,2,2-trimethylcyclopentan-1-amine (CID 79863147) is 5-(3,4-difluorophenyl)sulfinyl-N,2,2-trimethylcyclopentan-1-amine.
What is the SMILES notation for 5-(3,4-difluorophenyl)sulfinyl-N,2,2-trimethylcyclopentan-1-amine?
The canonical SMILES for 5-(3,4-difluorophenyl)sulfinyl-N,2,2-trimethylcyclopentan-1-amine is CNC1C(S(=O)c2ccc(F)c(F)c2)CCC1(C)C.
What is the InChIKey of 5-(3,4-difluorophenyl)sulfinyl-N,2,2-trimethylcyclopentan-1-amine?
The InChIKey is PVEHQGKTNBORMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2NOS/c1-14(2)7-6-12(13(14)17-3)19(18)9-4-5-10(15)11(16)8-9/h4-5,8,12-13,17H,6-7H2,1-3H3.
What are the key properties of 5-(3,4-difluorophenyl)sulfinyl-N,2,2-trimethylcyclopentan-1-amine?
5-(3,4-difluorophenyl)sulfinyl-N,2,2-trimethylcyclopentan-1-amine has a molecular weight of 287.38 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-difluorophenyl)sulfinyl-N,2,2-trimethylcyclopentan-1-amine is sourced from PubChem (CID 79863147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).