5-(2,4-difluorophenyl)sulfinylpentan-2-amine

C11H15F2NOS — CID 64652840

IUPAC5-(2,4-difluorophenyl)sulfinylpentan-2-amine
SMILESCC(N)CCCS(=O)c1ccc(F)cc1F
InChIInChI=1S/C11H15F2NOS/c1-8(14)3-2-6-16(15)11-5-4-9(12)7-10(11)13/h4-5,7-8H,2-3,6,14H2,1H3
InChIKeyCGSSXDNOBINETA-UHFFFAOYSA-N
MW247.31 g/mol
LogP2.20
Rot. Bonds5

About 5-(2,4-difluorophenyl)sulfinylpentan-2-amine

5-(2,4-difluorophenyl)sulfinylpentan-2-amine (PubChem CID 64652840) has the molecular formula C11H15F2NOS and a molecular weight of 247.31 g/mol. Its IUPAC name is 5-(2,4-difluorophenyl)sulfinylpentan-2-amine.

Molecular Properties

Compound Name5-(2,4-difluorophenyl)sulfinylpentan-2-amine
PubChem CID64652840
Molecular FormulaC11H15F2NOS
Molecular Weight247.31 g/mol
Exact Mass247.08
IUPAC Name5-(2,4-difluorophenyl)sulfinylpentan-2-amine
SMILESCC(N)CCCS(=O)c1ccc(F)cc1F
InChIInChI=1S/C11H15F2NOS/c1-8(14)3-2-6-16(15)11-5-4-9(12)7-10(11)13/h4-5,7-8H,2-3,6,14H2,1H3
InChIKeyCGSSXDNOBINETA-UHFFFAOYSA-N
XLogP2.20
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.31
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-(2,4-difluorophenyl)sulfinylhexan-3-one
CID 106808610
4-[3-(2,4-difluorophenyl)sulfinylpropoxy]aniline
CID 61287414
5-(2,4-difluorophenyl)sulfinyl-2,2-dimethylpentanenitrile
CID 65262989
6-(2,5-dichlorophenyl)sulfinylhexan-2-amine
CID 64660268
4-[2-(2,4-difluorophenyl)sulfinylethyl]aniline
CID 61288023
1-(2,4-difluorophenyl)sulfinylpropan-2-one
CID 64641314
5-(2,4-difluorophenyl)sulfanylpentan-2-amine
CID 64615173
N-(3-aminopropyl)-2-(2,4-difluorophenyl)sulfinyl-N-methylacetamide
CID 81329251
1-N-(2,4-difluorophenyl)pentane-1,4-diamine
CID 115203586
4-(3-ethoxypropylsulfinyl)-3-fluoroaniline
CID 81193036
2-(2,4-difluorophenyl)sulfinyl-1-(4-methoxyphenyl)ethanamine
CID 64652626
5-(4-bromophenyl)sulfinylpentan-2-amine
CID 64653239

Frequently Asked Questions

What is the IUPAC name of 5-(2,4-difluorophenyl)sulfinylpentan-2-amine?
The IUPAC name of 5-(2,4-difluorophenyl)sulfinylpentan-2-amine (CID 64652840) is 5-(2,4-difluorophenyl)sulfinylpentan-2-amine.
What is the SMILES notation for 5-(2,4-difluorophenyl)sulfinylpentan-2-amine?
The canonical SMILES for 5-(2,4-difluorophenyl)sulfinylpentan-2-amine is CC(N)CCCS(=O)c1ccc(F)cc1F.
What is the InChIKey of 5-(2,4-difluorophenyl)sulfinylpentan-2-amine?
The InChIKey is CGSSXDNOBINETA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2NOS/c1-8(14)3-2-6-16(15)11-5-4-9(12)7-10(11)13/h4-5,7-8H,2-3,6,14H2,1H3.
What are the key properties of 5-(2,4-difluorophenyl)sulfinylpentan-2-amine?
5-(2,4-difluorophenyl)sulfinylpentan-2-amine has a molecular weight of 247.31 g/mol, XLogP of 2.20, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-difluorophenyl)sulfinylpentan-2-amine is sourced from PubChem (CID 64652840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).