2-[methyl(6-sulfanylhexyl)amino]propan-1-ol

C10H23NOS — CID 104556960

IUPAC2-[methyl(6-sulfanylhexyl)amino]propan-1-ol
SMILESCC(CO)N(C)CCCCCCS
InChIInChI=1S/C10H23NOS/c1-10(9-12)11(2)7-5-3-4-6-8-13/h10,12-13H,3-9H2,1-2H3
InChIKeyPSSTXWZIDDIIGO-UHFFFAOYSA-N
MW205.37 g/mol
LogP1.79
Rot. Bonds8

About 2-[methyl(6-sulfanylhexyl)amino]propan-1-ol

2-[methyl(6-sulfanylhexyl)amino]propan-1-ol (PubChem CID 104556960) has the molecular formula C10H23NOS and a molecular weight of 205.37 g/mol. Its IUPAC name is 2-[methyl(6-sulfanylhexyl)amino]propan-1-ol.

Molecular Properties

Compound Name2-[methyl(6-sulfanylhexyl)amino]propan-1-ol
PubChem CID104556960
Molecular FormulaC10H23NOS
Molecular Weight205.37 g/mol
Exact Mass205.15
IUPAC Name2-[methyl(6-sulfanylhexyl)amino]propan-1-ol
SMILESCC(CO)N(C)CCCCCCS
InChIInChI=1S/C10H23NOS/c1-10(9-12)11(2)7-5-3-4-6-8-13/h10,12-13H,3-9H2,1-2H3
InChIKeyPSSTXWZIDDIIGO-UHFFFAOYSA-N
XLogP1.79
TPSA23.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.37
LogP ≤ 51.79
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(2-sulfanylethyl)amino]propan-1-ol
CID 104556945
2-[5-chloropentyl(methyl)amino]propan-1-ol
CID 104553871
6-[methyl(1-methylsulfanylpropan-2-yl)amino]hexane-1-thiol
CID 112667562
2-[hept-6-enyl(methyl)amino]propan-1-ol
CID 107010121
6-[1-hydroxypropan-2-yl(methyl)amino]hexanoic acid
CID 104552515
2-[methyl(9-sulfanylnonyl)amino]ethanol
CID 105344075
5-[methyl(6-sulfanylhexyl)amino]pentan-1-ol
CID 107207379
2-[pentan-3-yl(9-sulfanylnonyl)amino]ethanol
CID 105344178
9-[butyl(methyl)amino]nonane-1-thiol
CID 105344024
3-[5-hydroxypentyl(methyl)amino]butanenitrile
CID 63223622
N-dodecyl-N-methyltridecan-2-amine
CID 87784054
ethanol;11-sulfanylundecan-1-ol
CID 175180301

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(6-sulfanylhexyl)amino]propan-1-ol?
The IUPAC name of 2-[methyl(6-sulfanylhexyl)amino]propan-1-ol (CID 104556960) is 2-[methyl(6-sulfanylhexyl)amino]propan-1-ol.
What is the SMILES notation for 2-[methyl(6-sulfanylhexyl)amino]propan-1-ol?
The canonical SMILES for 2-[methyl(6-sulfanylhexyl)amino]propan-1-ol is CC(CO)N(C)CCCCCCS.
What is the InChIKey of 2-[methyl(6-sulfanylhexyl)amino]propan-1-ol?
The InChIKey is PSSTXWZIDDIIGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NOS/c1-10(9-12)11(2)7-5-3-4-6-8-13/h10,12-13H,3-9H2,1-2H3.
What are the key properties of 2-[methyl(6-sulfanylhexyl)amino]propan-1-ol?
2-[methyl(6-sulfanylhexyl)amino]propan-1-ol has a molecular weight of 205.37 g/mol, XLogP of 1.79, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(6-sulfanylhexyl)amino]propan-1-ol is sourced from PubChem (CID 104556960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).