3-(benzenesulfinyl)-N-methylbutan-2-amine

C11H17NOS — CID 64657472

IUPAC3-(benzenesulfinyl)-N-methylbutan-2-amine
SMILESCNC(C)C(C)S(=O)c1ccccc1
InChIInChI=1S/C11H17NOS/c1-9(12-3)10(2)14(13)11-7-5-4-6-8-11/h4-10,12H,1-3H3
InChIKeyTYWJSWSDFMAMIF-UHFFFAOYSA-N
MW211.33 g/mol
LogP1.79
Rot. Bonds4

About 3-(benzenesulfinyl)-N-methylbutan-2-amine

3-(benzenesulfinyl)-N-methylbutan-2-amine (PubChem CID 64657472) has the molecular formula C11H17NOS and a molecular weight of 211.33 g/mol. Its IUPAC name is 3-(benzenesulfinyl)-N-methylbutan-2-amine.

Molecular Properties

Compound Name3-(benzenesulfinyl)-N-methylbutan-2-amine
PubChem CID64657472
Molecular FormulaC11H17NOS
Molecular Weight211.33 g/mol
Exact Mass211.10
IUPAC Name3-(benzenesulfinyl)-N-methylbutan-2-amine
SMILESCNC(C)C(C)S(=O)c1ccccc1
InChIInChI=1S/C11H17NOS/c1-9(12-3)10(2)14(13)11-7-5-4-6-8-11/h4-10,12H,1-3H3
InChIKeyTYWJSWSDFMAMIF-UHFFFAOYSA-N
XLogP1.79
TPSA29.10 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 ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfinyl)-N-methylbutan-2-amine?
The IUPAC name of 3-(benzenesulfinyl)-N-methylbutan-2-amine (CID 64657472) is 3-(benzenesulfinyl)-N-methylbutan-2-amine.
What is the SMILES notation for 3-(benzenesulfinyl)-N-methylbutan-2-amine?
The canonical SMILES for 3-(benzenesulfinyl)-N-methylbutan-2-amine is CNC(C)C(C)S(=O)c1ccccc1.
What is the InChIKey of 3-(benzenesulfinyl)-N-methylbutan-2-amine?
The InChIKey is TYWJSWSDFMAMIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NOS/c1-9(12-3)10(2)14(13)11-7-5-4-6-8-11/h4-10,12H,1-3H3.
What are the key properties of 3-(benzenesulfinyl)-N-methylbutan-2-amine?
3-(benzenesulfinyl)-N-methylbutan-2-amine has a molecular weight of 211.33 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfinyl)-N-methylbutan-2-amine is sourced from PubChem (CID 64657472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).