2-(2-fluorophenyl)sulfinyl-N-methylpentan-3-amine

C12H18FNOS — CID 64657553

IUPAC2-(2-fluorophenyl)sulfinyl-N-methylpentan-3-amine
SMILESCCC(NC)C(C)S(=O)c1ccccc1F
InChIInChI=1S/C12H18FNOS/c1-4-11(14-3)9(2)16(15)12-8-6-5-7-10(12)13/h5-9,11,14H,4H2,1-3H3
InChIKeyDMHXKUSWLDBAIK-UHFFFAOYSA-N
MW243.35 g/mol
LogP2.32
Rot. Bonds5

About 2-(2-fluorophenyl)sulfinyl-N-methylpentan-3-amine

2-(2-fluorophenyl)sulfinyl-N-methylpentan-3-amine (PubChem CID 64657553) has the molecular formula C12H18FNOS and a molecular weight of 243.35 g/mol. Its IUPAC name is 2-(2-fluorophenyl)sulfinyl-N-methylpentan-3-amine.

Molecular Properties

Compound Name2-(2-fluorophenyl)sulfinyl-N-methylpentan-3-amine
PubChem CID64657553
Molecular FormulaC12H18FNOS
Molecular Weight243.35 g/mol
Exact Mass243.11
IUPAC Name2-(2-fluorophenyl)sulfinyl-N-methylpentan-3-amine
SMILESCCC(NC)C(C)S(=O)c1ccccc1F
InChIInChI=1S/C12H18FNOS/c1-4-11(14-3)9(2)16(15)12-8-6-5-7-10(12)13/h5-9,11,14H,4H2,1-3H3
InChIKeyDMHXKUSWLDBAIK-UHFFFAOYSA-N
XLogP2.32
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-3-(2-fluorophenyl)sulfinylbutan-2-amine
CID 64657749
N-methyl-2-thiophen-2-ylsulfinylpentan-3-amine
CID 64653004
N-ethyl-2-(2-methylphenyl)sulfinylpentan-3-amine
CID 64656582
2-(2-fluorophenyl)sulfinylpropan-1-amine
CID 81328823
1-(4-ethylphenyl)-2-(2-fluorophenyl)sulfinylpropan-1-amine
CID 64658519
2-(2-chlorophenyl)sulfinyl-N-propylpentan-3-amine
CID 64658469
2-(2-fluorophenyl)sulfinyl-N-phenylpropanamide
CID 63792456
1-(2-fluorophenyl)sulfinylbutan-2-amine
CID 64658337
1-fluoro-2-propylsulfinylbenzene
CID 64717305
1-(2-fluorophenyl)sulfinyl-N-propylbutan-2-amine
CID 64657563
2-(2-fluorophenyl)sulfinyl-N-(3-methoxypropyl)propanamide
CID 63791051
N-methyl-2-[(3-methylphenyl)methylsulfinyl]pentan-3-amine
CID 64658400

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)sulfinyl-N-methylpentan-3-amine?
The IUPAC name of 2-(2-fluorophenyl)sulfinyl-N-methylpentan-3-amine (CID 64657553) is 2-(2-fluorophenyl)sulfinyl-N-methylpentan-3-amine.
What is the SMILES notation for 2-(2-fluorophenyl)sulfinyl-N-methylpentan-3-amine?
The canonical SMILES for 2-(2-fluorophenyl)sulfinyl-N-methylpentan-3-amine is CCC(NC)C(C)S(=O)c1ccccc1F.
What is the InChIKey of 2-(2-fluorophenyl)sulfinyl-N-methylpentan-3-amine?
The InChIKey is DMHXKUSWLDBAIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FNOS/c1-4-11(14-3)9(2)16(15)12-8-6-5-7-10(12)13/h5-9,11,14H,4H2,1-3H3.
What are the key properties of 2-(2-fluorophenyl)sulfinyl-N-methylpentan-3-amine?
2-(2-fluorophenyl)sulfinyl-N-methylpentan-3-amine has a molecular weight of 243.35 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)sulfinyl-N-methylpentan-3-amine is sourced from PubChem (CID 64657553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).