5-methylsulfanylpentan-1-amine

C6H15NS — CID 533924

IUPAC5-methylsulfanylpentan-1-amine
SMILESCSCCCCCN
InChIInChI=1S/C6H15NS/c1-8-6-4-2-3-5-7/h2-7H2,1H3
InChIKeyDQIGNVFNKSQHQV-UHFFFAOYSA-N
MW133.26 g/mol
LogP1.48
Rot. Bonds5

About 5-methylsulfanylpentan-1-amine

5-methylsulfanylpentan-1-amine (PubChem CID 533924) has the molecular formula C6H15NS and a molecular weight of 133.26 g/mol. Its IUPAC name is 5-methylsulfanylpentan-1-amine.

Molecular Properties

Compound Name5-methylsulfanylpentan-1-amine
PubChem CID533924
Molecular FormulaC6H15NS
Molecular Weight133.26 g/mol
Exact Mass133.09
IUPAC Name5-methylsulfanylpentan-1-amine
SMILESCSCCCCCN
InChIInChI=1S/C6H15NS/c1-8-6-4-2-3-5-7/h2-7H2,1H3
InChIKeyDQIGNVFNKSQHQV-UHFFFAOYSA-N
XLogP1.48
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.26
LogP ≤ 51.48
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-methylsulfanylpentan-1-amine?
The IUPAC name of 5-methylsulfanylpentan-1-amine (CID 533924) is 5-methylsulfanylpentan-1-amine.
What is the SMILES notation for 5-methylsulfanylpentan-1-amine?
The canonical SMILES for 5-methylsulfanylpentan-1-amine is CSCCCCCN.
What is the InChIKey of 5-methylsulfanylpentan-1-amine?
The InChIKey is DQIGNVFNKSQHQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15NS/c1-8-6-4-2-3-5-7/h2-7H2,1H3.
What are the key properties of 5-methylsulfanylpentan-1-amine?
5-methylsulfanylpentan-1-amine has a molecular weight of 133.26 g/mol, XLogP of 1.48, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylsulfanylpentan-1-amine is sourced from PubChem (CID 533924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).