2-(2-methylphenyl)sulfinylbutan-1-amine

C11H17NOS — CID 81329169

IUPAC2-(2-methylphenyl)sulfinylbutan-1-amine
SMILESCCC(CN)S(=O)c1ccccc1C
InChIInChI=1S/C11H17NOS/c1-3-10(8-12)14(13)11-7-5-4-6-9(11)2/h4-7,10H,3,8,12H2,1-2H3
InChIKeyFIDKTWCTPFDAMD-UHFFFAOYSA-N
MW211.33 g/mol
LogP1.84
Rot. Bonds4

About 2-(2-methylphenyl)sulfinylbutan-1-amine

2-(2-methylphenyl)sulfinylbutan-1-amine (PubChem CID 81329169) has the molecular formula C11H17NOS and a molecular weight of 211.33 g/mol. Its IUPAC name is 2-(2-methylphenyl)sulfinylbutan-1-amine.

Molecular Properties

Compound Name2-(2-methylphenyl)sulfinylbutan-1-amine
PubChem CID81329169
Molecular FormulaC11H17NOS
Molecular Weight211.33 g/mol
Exact Mass211.10
IUPAC Name2-(2-methylphenyl)sulfinylbutan-1-amine
SMILESCCC(CN)S(=O)c1ccccc1C
InChIInChI=1S/C11H17NOS/c1-3-10(8-12)14(13)11-7-5-4-6-9(11)2/h4-7,10H,3,8,12H2,1-2H3
InChIKeyFIDKTWCTPFDAMD-UHFFFAOYSA-N
XLogP1.84
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.33
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenyl)sulfinylbutan-1-amine?
The IUPAC name of 2-(2-methylphenyl)sulfinylbutan-1-amine (CID 81329169) is 2-(2-methylphenyl)sulfinylbutan-1-amine.
What is the SMILES notation for 2-(2-methylphenyl)sulfinylbutan-1-amine?
The canonical SMILES for 2-(2-methylphenyl)sulfinylbutan-1-amine is CCC(CN)S(=O)c1ccccc1C.
What is the InChIKey of 2-(2-methylphenyl)sulfinylbutan-1-amine?
The InChIKey is FIDKTWCTPFDAMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NOS/c1-3-10(8-12)14(13)11-7-5-4-6-9(11)2/h4-7,10H,3,8,12H2,1-2H3.
What are the key properties of 2-(2-methylphenyl)sulfinylbutan-1-amine?
2-(2-methylphenyl)sulfinylbutan-1-amine has a molecular weight of 211.33 g/mol, XLogP of 1.84, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenyl)sulfinylbutan-1-amine is sourced from PubChem (CID 81329169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).