6-(oxan-4-ylsulfanyl)hexan-2-amine

C11H23NOS — CID 64625976

IUPAC6-(oxan-4-ylsulfanyl)hexan-2-amine
SMILESCC(N)CCCCSC1CCOCC1
InChIInChI=1S/C11H23NOS/c1-10(12)4-2-3-9-14-11-5-7-13-8-6-11/h10-11H,2-9,12H2,1H3
InChIKeyXXJBCIFLRYJHIK-UHFFFAOYSA-N
MW217.38 g/mol
LogP2.42
Rot. Bonds6

About 6-(oxan-4-ylsulfanyl)hexan-2-amine

6-(oxan-4-ylsulfanyl)hexan-2-amine (PubChem CID 64625976) has the molecular formula C11H23NOS and a molecular weight of 217.38 g/mol. Its IUPAC name is 6-(oxan-4-ylsulfanyl)hexan-2-amine.

Molecular Properties

Compound Name6-(oxan-4-ylsulfanyl)hexan-2-amine
PubChem CID64625976
Molecular FormulaC11H23NOS
Molecular Weight217.38 g/mol
Exact Mass217.15
IUPAC Name6-(oxan-4-ylsulfanyl)hexan-2-amine
SMILESCC(N)CCCCSC1CCOCC1
InChIInChI=1S/C11H23NOS/c1-10(12)4-2-3-9-14-11-5-7-13-8-6-11/h10-11H,2-9,12H2,1H3
InChIKeyXXJBCIFLRYJHIK-UHFFFAOYSA-N
XLogP2.42
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.38
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 6-(oxan-4-ylsulfanyl)hexan-2-amine?
The IUPAC name of 6-(oxan-4-ylsulfanyl)hexan-2-amine (CID 64625976) is 6-(oxan-4-ylsulfanyl)hexan-2-amine.
What is the SMILES notation for 6-(oxan-4-ylsulfanyl)hexan-2-amine?
The canonical SMILES for 6-(oxan-4-ylsulfanyl)hexan-2-amine is CC(N)CCCCSC1CCOCC1.
What is the InChIKey of 6-(oxan-4-ylsulfanyl)hexan-2-amine?
The InChIKey is XXJBCIFLRYJHIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NOS/c1-10(12)4-2-3-9-14-11-5-7-13-8-6-11/h10-11H,2-9,12H2,1H3.
What are the key properties of 6-(oxan-4-ylsulfanyl)hexan-2-amine?
6-(oxan-4-ylsulfanyl)hexan-2-amine has a molecular weight of 217.38 g/mol, XLogP of 2.42, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(oxan-4-ylsulfanyl)hexan-2-amine is sourced from PubChem (CID 64625976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).