1-[(5-chloro-2-fluorophenyl)methylsulfinyl]butan-2-amine

C11H15ClFNOS — CID 103051950

IUPAC1-[(5-chloro-2-fluorophenyl)methylsulfinyl]butan-2-amine
SMILESCCC(N)CS(=O)Cc1cc(Cl)ccc1F
InChIInChI=1S/C11H15ClFNOS/c1-2-10(14)7-16(15)6-8-5-9(12)3-4-11(8)13/h3-5,10H,2,6-7,14H2,1H3
InChIKeyWJBAWIWMRLEKFO-UHFFFAOYSA-N
MW263.76 g/mol
LogP2.47
Rot. Bonds5

About 1-[(5-chloro-2-fluorophenyl)methylsulfinyl]butan-2-amine

1-[(5-chloro-2-fluorophenyl)methylsulfinyl]butan-2-amine (PubChem CID 103051950) has the molecular formula C11H15ClFNOS and a molecular weight of 263.76 g/mol. Its IUPAC name is 1-[(5-chloro-2-fluorophenyl)methylsulfinyl]butan-2-amine.

Molecular Properties

Compound Name1-[(5-chloro-2-fluorophenyl)methylsulfinyl]butan-2-amine
PubChem CID103051950
Molecular FormulaC11H15ClFNOS
Molecular Weight263.76 g/mol
Exact Mass263.05
IUPAC Name1-[(5-chloro-2-fluorophenyl)methylsulfinyl]butan-2-amine
SMILESCCC(N)CS(=O)Cc1cc(Cl)ccc1F
InChIInChI=1S/C11H15ClFNOS/c1-2-10(14)7-16(15)6-8-5-9(12)3-4-11(8)13/h3-5,10H,2,6-7,14H2,1H3
InChIKeyWJBAWIWMRLEKFO-UHFFFAOYSA-N
XLogP2.47
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.76
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2-bromo-4-fluorophenyl)methylsulfinyl]butan-2-amine
CID 81188468
4-amino-1-(5-chloro-2-fluorophenyl)hexan-2-one
CID 103052461
1-[(5-chloro-2-fluorophenyl)methylsulfinyl]-2-methylpropan-2-amine
CID 103051947
2-acetamido-3-[(5-chloro-2-fluorophenyl)methylsulfinyl]propanoic acid
CID 107768743
2-[(5-chloro-2-fluorophenyl)methylsulfinyl]acetic acid
CID 103049315
2-(2-aminobutylsulfinylmethyl)benzonitrile
CID 81189156
4-(2-aminobutylsulfinylmethyl)phenol
CID 81189386
1-[(4-iodophenyl)methylsulfinyl]butan-2-amine
CID 81189506
4-amino-1-(4-chloro-2-fluorophenyl)hexan-2-one
CID 114863569
3-(2-aminobutylsulfinylmethyl)benzonitrile
CID 81188233
1-[(2-methoxy-3-pyridinyl)methylsulfinyl]butan-2-amine
CID 81189280
2-[(5-chloro-2-fluorophenyl)methyl]butan-1-amine
CID 103049601

Frequently Asked Questions

What is the IUPAC name of 1-[(5-chloro-2-fluorophenyl)methylsulfinyl]butan-2-amine?
The IUPAC name of 1-[(5-chloro-2-fluorophenyl)methylsulfinyl]butan-2-amine (CID 103051950) is 1-[(5-chloro-2-fluorophenyl)methylsulfinyl]butan-2-amine.
What is the SMILES notation for 1-[(5-chloro-2-fluorophenyl)methylsulfinyl]butan-2-amine?
The canonical SMILES for 1-[(5-chloro-2-fluorophenyl)methylsulfinyl]butan-2-amine is CCC(N)CS(=O)Cc1cc(Cl)ccc1F.
What is the InChIKey of 1-[(5-chloro-2-fluorophenyl)methylsulfinyl]butan-2-amine?
The InChIKey is WJBAWIWMRLEKFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClFNOS/c1-2-10(14)7-16(15)6-8-5-9(12)3-4-11(8)13/h3-5,10H,2,6-7,14H2,1H3.
What are the key properties of 1-[(5-chloro-2-fluorophenyl)methylsulfinyl]butan-2-amine?
1-[(5-chloro-2-fluorophenyl)methylsulfinyl]butan-2-amine has a molecular weight of 263.76 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-chloro-2-fluorophenyl)methylsulfinyl]butan-2-amine is sourced from PubChem (CID 103051950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).