6-(2-aminopropylsulfinyl)hexan-1-ol

C9H21NO2S — CID 107707424

IUPAC6-(2-aminopropylsulfinyl)hexan-1-ol
SMILESCC(N)CS(=O)CCCCCCO
InChIInChI=1S/C9H21NO2S/c1-9(10)8-13(12)7-5-3-2-4-6-11/h9,11H,2-8,10H2,1H3
InChIKeySCFFHXADKJJCHA-UHFFFAOYSA-N
MW207.34 g/mol
LogP0.63
Rot. Bonds8

About 6-(2-aminopropylsulfinyl)hexan-1-ol

6-(2-aminopropylsulfinyl)hexan-1-ol (PubChem CID 107707424) has the molecular formula C9H21NO2S and a molecular weight of 207.34 g/mol. Its IUPAC name is 6-(2-aminopropylsulfinyl)hexan-1-ol.

Molecular Properties

Compound Name6-(2-aminopropylsulfinyl)hexan-1-ol
PubChem CID107707424
Molecular FormulaC9H21NO2S
Molecular Weight207.34 g/mol
Exact Mass207.13
IUPAC Name6-(2-aminopropylsulfinyl)hexan-1-ol
SMILESCC(N)CS(=O)CCCCCCO
InChIInChI=1S/C9H21NO2S/c1-9(10)8-13(12)7-5-3-2-4-6-11/h9,11H,2-8,10H2,1H3
InChIKeySCFFHXADKJJCHA-UHFFFAOYSA-N
XLogP0.63
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.34
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(2-aminopropylsulfinyl)butanenitrile
CID 81189772
1-(3-ethoxypropylsulfinyl)propan-2-amine
CID 81189662
2-amino-3-(3-hydroxypropylsulfinyl)propanoic acid
CID 74324894
(2R)-1-ethylsulfinylpropan-2-amine
CID 88956944
(2R)-1-[(S)-dodecylsulfinyl]propan-2-ol
CID 98534105
3-dodecylsulfinylpropane-1,2-diol
CID 154087122
3-pentylsulfinylpropan-1-ol
CID 12518269
methyl 3-heptylsulfinyl-2-methylpropanoate
CID 66112900
1-(2-phenylethylsulfinyl)propan-2-amine
CID 81188268
(2S)-1-[(R)-methylsulfinyl]propan-2-amine
CID 96718307
5-(2-methylpropylsulfinyl)pentanoic acid
CID 61304363
(2S)-2-amino-N-(5-hydroxypentyl)-N-methylpropanamide
CID 107199234

Frequently Asked Questions

What is the IUPAC name of 6-(2-aminopropylsulfinyl)hexan-1-ol?
The IUPAC name of 6-(2-aminopropylsulfinyl)hexan-1-ol (CID 107707424) is 6-(2-aminopropylsulfinyl)hexan-1-ol.
What is the SMILES notation for 6-(2-aminopropylsulfinyl)hexan-1-ol?
The canonical SMILES for 6-(2-aminopropylsulfinyl)hexan-1-ol is CC(N)CS(=O)CCCCCCO.
What is the InChIKey of 6-(2-aminopropylsulfinyl)hexan-1-ol?
The InChIKey is SCFFHXADKJJCHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO2S/c1-9(10)8-13(12)7-5-3-2-4-6-11/h9,11H,2-8,10H2,1H3.
What are the key properties of 6-(2-aminopropylsulfinyl)hexan-1-ol?
6-(2-aminopropylsulfinyl)hexan-1-ol has a molecular weight of 207.34 g/mol, XLogP of 0.63, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-aminopropylsulfinyl)hexan-1-ol is sourced from PubChem (CID 107707424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).