5-methylsulfinylpentan-1-amine

C6H15NOS — CID 45039895

IUPAC5-methylsulfinylpentan-1-amine
SMILESCS(=O)CCCCCN
InChIInChI=1S/C6H15NOS/c1-9(8)6-4-2-3-5-7/h2-7H2,1H3
InChIKeyMULROTCGIMVCLI-UHFFFAOYSA-N
MW149.26 g/mol
LogP0.49
Rot. Bonds5

About 5-methylsulfinylpentan-1-amine

5-methylsulfinylpentan-1-amine (PubChem CID 45039895) has the molecular formula C6H15NOS and a molecular weight of 149.26 g/mol. Its IUPAC name is 5-methylsulfinylpentan-1-amine.

Molecular Properties

Compound Name5-methylsulfinylpentan-1-amine
PubChem CID45039895
Molecular FormulaC6H15NOS
Molecular Weight149.26 g/mol
Exact Mass149.09
IUPAC Name5-methylsulfinylpentan-1-amine
SMILESCS(=O)CCCCCN
InChIInChI=1S/C6H15NOS/c1-9(8)6-4-2-3-5-7/h2-7H2,1H3
InChIKeyMULROTCGIMVCLI-UHFFFAOYSA-N
XLogP0.49
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.26
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-methylsulfinylpentan-1-amine?
The IUPAC name of 5-methylsulfinylpentan-1-amine (CID 45039895) is 5-methylsulfinylpentan-1-amine.
What is the SMILES notation for 5-methylsulfinylpentan-1-amine?
The canonical SMILES for 5-methylsulfinylpentan-1-amine is CS(=O)CCCCCN.
What is the InChIKey of 5-methylsulfinylpentan-1-amine?
The InChIKey is MULROTCGIMVCLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15NOS/c1-9(8)6-4-2-3-5-7/h2-7H2,1H3.
What are the key properties of 5-methylsulfinylpentan-1-amine?
5-methylsulfinylpentan-1-amine has a molecular weight of 149.26 g/mol, XLogP of 0.49, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylsulfinylpentan-1-amine is sourced from PubChem (CID 45039895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).