5-butan-2-ylsulfinyl-N-methylpentan-2-amine

C10H23NOS — CID 64660321

IUPAC5-butan-2-ylsulfinyl-N-methylpentan-2-amine
SMILESCCC(C)S(=O)CCCC(C)NC
InChIInChI=1S/C10H23NOS/c1-5-10(3)13(12)8-6-7-9(2)11-4/h9-11H,5-8H2,1-4H3
InChIKeyXWMBOMXAENKRFT-UHFFFAOYSA-N
MW205.37 g/mol
LogP1.92
Rot. Bonds7

About 5-butan-2-ylsulfinyl-N-methylpentan-2-amine

5-butan-2-ylsulfinyl-N-methylpentan-2-amine (PubChem CID 64660321) has the molecular formula C10H23NOS and a molecular weight of 205.37 g/mol. Its IUPAC name is 5-butan-2-ylsulfinyl-N-methylpentan-2-amine.

Molecular Properties

Compound Name5-butan-2-ylsulfinyl-N-methylpentan-2-amine
PubChem CID64660321
Molecular FormulaC10H23NOS
Molecular Weight205.37 g/mol
Exact Mass205.15
IUPAC Name5-butan-2-ylsulfinyl-N-methylpentan-2-amine
SMILESCCC(C)S(=O)CCCC(C)NC
InChIInChI=1S/C10H23NOS/c1-5-10(3)13(12)8-6-7-9(2)11-4/h9-11H,5-8H2,1-4H3
InChIKeyXWMBOMXAENKRFT-UHFFFAOYSA-N
XLogP1.92
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.37
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-butan-2-ylsulfinyl-N-methylpentan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-butan-2-ylsulfinyl-N-methylpentan-2-amine?
The IUPAC name of 5-butan-2-ylsulfinyl-N-methylpentan-2-amine (CID 64660321) is 5-butan-2-ylsulfinyl-N-methylpentan-2-amine.
What is the SMILES notation for 5-butan-2-ylsulfinyl-N-methylpentan-2-amine?
The canonical SMILES for 5-butan-2-ylsulfinyl-N-methylpentan-2-amine is CCC(C)S(=O)CCCC(C)NC.
What is the InChIKey of 5-butan-2-ylsulfinyl-N-methylpentan-2-amine?
The InChIKey is XWMBOMXAENKRFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NOS/c1-5-10(3)13(12)8-6-7-9(2)11-4/h9-11H,5-8H2,1-4H3.
What are the key properties of 5-butan-2-ylsulfinyl-N-methylpentan-2-amine?
5-butan-2-ylsulfinyl-N-methylpentan-2-amine has a molecular weight of 205.37 g/mol, XLogP of 1.92, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butan-2-ylsulfinyl-N-methylpentan-2-amine is sourced from PubChem (CID 64660321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).