3-amino-2-(3-methoxypropylsulfanyl)butan-1-ol

C8H19NO2S — CID 64899616

IUPAC3-amino-2-(3-methoxypropylsulfanyl)butan-1-ol
SMILESCOCCCSC(CO)C(C)N
InChIInChI=1S/C8H19NO2S/c1-7(9)8(6-10)12-5-3-4-11-2/h7-8,10H,3-6,9H2,1-2H3
InChIKeyAOOOYURHYWSSKX-UHFFFAOYSA-N
MW193.31 g/mol
LogP0.46
Rot. Bonds7

About 3-amino-2-(3-methoxypropylsulfanyl)butan-1-ol

3-amino-2-(3-methoxypropylsulfanyl)butan-1-ol (PubChem CID 64899616) has the molecular formula C8H19NO2S and a molecular weight of 193.31 g/mol. Its IUPAC name is 3-amino-2-(3-methoxypropylsulfanyl)butan-1-ol.

Molecular Properties

Compound Name3-amino-2-(3-methoxypropylsulfanyl)butan-1-ol
PubChem CID64899616
Molecular FormulaC8H19NO2S
Molecular Weight193.31 g/mol
Exact Mass193.11
IUPAC Name3-amino-2-(3-methoxypropylsulfanyl)butan-1-ol
SMILESCOCCCSC(CO)C(C)N
InChIInChI=1S/C8H19NO2S/c1-7(9)8(6-10)12-5-3-4-11-2/h7-8,10H,3-6,9H2,1-2H3
InChIKeyAOOOYURHYWSSKX-UHFFFAOYSA-N
XLogP0.46
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.31
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-amino-2-(3-methoxypropylsulfanyl)-5-methylhexan-1-ol
CID 114370499
2-(4-methoxybutylsulfanyl)propan-1-ol
CID 115687888
4,4,4-trifluoro-3-(3-methoxypropylsulfanyl)butan-2-amine
CID 63856103
3-(3-amino-1-hydroxybutan-2-yl)sulfanylpropane-1,2-diol
CID 79670793
3-(1-methoxypropan-2-ylsulfanyl)propan-1-ol
CID 66129136
(2S)-5-methoxypentan-2-amine
CID 93315322
ethyl 3-(3-methoxypropylsulfanyl)butanoate
CID 63856812
3-amino-4-methoxy-2-(2-methylpropylsulfanyl)butan-1-ol
CID 114369839
1-amino-4-methoxybutan-1-ol
CID 57141832
2-(3-methoxypropylsulfanyl)-N-methylpropan-1-amine
CID 63857263
methyl 3-(3-amino-1-hydroxy-4-methoxybutan-2-yl)sulfanylpropanoate
CID 114369912
2-(3-methoxypropylsulfanyl)-N-propan-2-ylpropan-1-amine
CID 63856526

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(3-methoxypropylsulfanyl)butan-1-ol?
The IUPAC name of 3-amino-2-(3-methoxypropylsulfanyl)butan-1-ol (CID 64899616) is 3-amino-2-(3-methoxypropylsulfanyl)butan-1-ol.
What is the SMILES notation for 3-amino-2-(3-methoxypropylsulfanyl)butan-1-ol?
The canonical SMILES for 3-amino-2-(3-methoxypropylsulfanyl)butan-1-ol is COCCCSC(CO)C(C)N.
What is the InChIKey of 3-amino-2-(3-methoxypropylsulfanyl)butan-1-ol?
The InChIKey is AOOOYURHYWSSKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NO2S/c1-7(9)8(6-10)12-5-3-4-11-2/h7-8,10H,3-6,9H2,1-2H3.
What are the key properties of 3-amino-2-(3-methoxypropylsulfanyl)butan-1-ol?
3-amino-2-(3-methoxypropylsulfanyl)butan-1-ol has a molecular weight of 193.31 g/mol, XLogP of 0.46, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(3-methoxypropylsulfanyl)butan-1-ol is sourced from PubChem (CID 64899616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).