5-[methyl(6-sulfanylhexyl)amino]pentan-1-ol

C12H27NOS — CID 107207379

IUPAC5-[methyl(6-sulfanylhexyl)amino]pentan-1-ol
SMILESCN(CCCCCO)CCCCCCS
InChIInChI=1S/C12H27NOS/c1-13(10-6-4-7-11-14)9-5-2-3-8-12-15/h14-15H,2-12H2,1H3
InChIKeyCRMHIFLBSRQHIC-UHFFFAOYSA-N
MW233.42 g/mol
LogP2.57
Rot. Bonds11

About 5-[methyl(6-sulfanylhexyl)amino]pentan-1-ol

5-[methyl(6-sulfanylhexyl)amino]pentan-1-ol (PubChem CID 107207379) has the molecular formula C12H27NOS and a molecular weight of 233.42 g/mol. Its IUPAC name is 5-[methyl(6-sulfanylhexyl)amino]pentan-1-ol.

Molecular Properties

Compound Name5-[methyl(6-sulfanylhexyl)amino]pentan-1-ol
PubChem CID107207379
Molecular FormulaC12H27NOS
Molecular Weight233.42 g/mol
Exact Mass233.18
IUPAC Name5-[methyl(6-sulfanylhexyl)amino]pentan-1-ol
SMILESCN(CCCCCO)CCCCCCS
InChIInChI=1S/C12H27NOS/c1-13(10-6-4-7-11-14)9-5-2-3-8-12-15/h14-15H,2-12H2,1H3
InChIKeyCRMHIFLBSRQHIC-UHFFFAOYSA-N
XLogP2.57
TPSA23.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.42
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

2-[methyl(9-sulfanylnonyl)amino]ethanol
CID 105344075
8-[6-hydroxyhexyl(methyl)amino]octan-1-ol
CID 19982345
35-sulfanylpentatriacontan-1-ol
CID 87682399
25-sulfanylpentacosan-1-ol
CID 87683418
9-sulfanylnonan-1-ol
CID 46201499
9-[butyl(methyl)amino]nonane-1-thiol
CID 105344024
4-[methyl(octyl)amino]butan-1-ol
CID 87238675
ethanol;11-sulfanylundecan-1-ol
CID 175180301
3-[hexyl(methyl)amino]propane-1-thiol
CID 23362422
5-[methyl-[(E)-4-sulfanylbut-2-enyl]amino]pentan-1-ol
CID 107207389
2-(dimethylamino)ethanol;ethane;4-[methyl(propyl)amino]butan-1-ol
CID 171562694
8-[4-hydroxybutyl(methyl)amino]octanoic acid
CID 170273810

Frequently Asked Questions

What is the IUPAC name of 5-[methyl(6-sulfanylhexyl)amino]pentan-1-ol?
The IUPAC name of 5-[methyl(6-sulfanylhexyl)amino]pentan-1-ol (CID 107207379) is 5-[methyl(6-sulfanylhexyl)amino]pentan-1-ol.
What is the SMILES notation for 5-[methyl(6-sulfanylhexyl)amino]pentan-1-ol?
The canonical SMILES for 5-[methyl(6-sulfanylhexyl)amino]pentan-1-ol is CN(CCCCCO)CCCCCCS.
What is the InChIKey of 5-[methyl(6-sulfanylhexyl)amino]pentan-1-ol?
The InChIKey is CRMHIFLBSRQHIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NOS/c1-13(10-6-4-7-11-14)9-5-2-3-8-12-15/h14-15H,2-12H2,1H3.
What are the key properties of 5-[methyl(6-sulfanylhexyl)amino]pentan-1-ol?
5-[methyl(6-sulfanylhexyl)amino]pentan-1-ol has a molecular weight of 233.42 g/mol, XLogP of 2.57, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[methyl(6-sulfanylhexyl)amino]pentan-1-ol is sourced from PubChem (CID 107207379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).