6-pyridin-2-ylsulfanylhexan-1-amine

C11H18N2S — CID 15227692

IUPAC6-pyridin-2-ylsulfanylhexan-1-amine
SMILESNCCCCCCSc1ccccn1
InChIInChI=1S/C11H18N2S/c12-8-4-1-2-6-10-14-11-7-3-5-9-13-11/h3,5,7,9H,1-2,4,6,8,10,12H2
InChIKeyDFHQLLANSMREBF-UHFFFAOYSA-N
MW210.35 g/mol
LogP2.69
Rot. Bonds7

About 6-pyridin-2-ylsulfanylhexan-1-amine

6-pyridin-2-ylsulfanylhexan-1-amine (PubChem CID 15227692) has the molecular formula C11H18N2S and a molecular weight of 210.35 g/mol. Its IUPAC name is 6-pyridin-2-ylsulfanylhexan-1-amine.

Molecular Properties

Compound Name6-pyridin-2-ylsulfanylhexan-1-amine
PubChem CID15227692
Molecular FormulaC11H18N2S
Molecular Weight210.35 g/mol
Exact Mass210.12
IUPAC Name6-pyridin-2-ylsulfanylhexan-1-amine
SMILESNCCCCCCSc1ccccn1
InChIInChI=1S/C11H18N2S/c12-8-4-1-2-6-10-14-11-7-3-5-9-13-11/h3,5,7,9H,1-2,4,6,8,10,12H2
InChIKeyDFHQLLANSMREBF-UHFFFAOYSA-N
XLogP2.69
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.35
LogP ≤ 52.69
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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Related Compounds

4-(pyridin-2-yldisulfanyl)butan-1-amine;dihydrochloride
CID 88671235
2-[3-(3-pyridin-2-ylsulfanylpropoxy)propylsulfanyl]pyridine
CID 142063341
N-methyl-4-pyridin-2-ylsulfanylbutan-1-amine
CID 62578791
2-[4-(4-pyridin-2-ylsulfanylbutylsulfonyl)butylsulfanyl]pyridine
CID 56631475
5-pyridin-2-ylsulfanylpentanenitrile
CID 19843929
4-pyrimidin-4-ylsulfanylbutan-1-amine
CID 63698533
2-(2-pyridin-2-ylsulfanylethoxy)ethanamine;hydrochloride
CID 86262476
2-[3-(3-pyridin-2-ylsulfanylpropylsulfinyl)propylsulfanyl]pyridine
CID 56616691
oxo(3-pyridin-2-ylsulfanylpropyl)phosphanium
CID 175332241
2-[6-(1-methyltetrazol-5-yl)sulfanylhexylsulfanyl]pyridine
CID 13061945
5-phenylsulfanylpentan-1-amine
CID 15227684
N-(2-methylpropyl)-4-pyridin-2-ylsulfanylbutan-1-amine
CID 62578353

Frequently Asked Questions

What is the IUPAC name of 6-pyridin-2-ylsulfanylhexan-1-amine?
The IUPAC name of 6-pyridin-2-ylsulfanylhexan-1-amine (CID 15227692) is 6-pyridin-2-ylsulfanylhexan-1-amine.
What is the SMILES notation for 6-pyridin-2-ylsulfanylhexan-1-amine?
The canonical SMILES for 6-pyridin-2-ylsulfanylhexan-1-amine is NCCCCCCSc1ccccn1.
What is the InChIKey of 6-pyridin-2-ylsulfanylhexan-1-amine?
The InChIKey is DFHQLLANSMREBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2S/c12-8-4-1-2-6-10-14-11-7-3-5-9-13-11/h3,5,7,9H,1-2,4,6,8,10,12H2.
What are the key properties of 6-pyridin-2-ylsulfanylhexan-1-amine?
6-pyridin-2-ylsulfanylhexan-1-amine has a molecular weight of 210.35 g/mol, XLogP of 2.69, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-pyridin-2-ylsulfanylhexan-1-amine is sourced from PubChem (CID 15227692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).