1-(3-methoxypropylsulfinyl)-3-(methylamino)propan-2-ol

C8H19NO3S — CID 115476843

IUPAC1-(3-methoxypropylsulfinyl)-3-(methylamino)propan-2-ol
SMILESCNCC(O)CS(=O)CCCOC
InChIInChI=1S/C8H19NO3S/c1-9-6-8(10)7-13(11)5-3-4-12-2/h8-10H,3-7H2,1-2H3
InChIKeyUZLODYIRKPOVOF-UHFFFAOYSA-N
MW209.31 g/mol
LogP-0.65
Rot. Bonds8

About 1-(3-methoxypropylsulfinyl)-3-(methylamino)propan-2-ol

1-(3-methoxypropylsulfinyl)-3-(methylamino)propan-2-ol (PubChem CID 115476843) has the molecular formula C8H19NO3S and a molecular weight of 209.31 g/mol. Its IUPAC name is 1-(3-methoxypropylsulfinyl)-3-(methylamino)propan-2-ol.

Molecular Properties

Compound Name1-(3-methoxypropylsulfinyl)-3-(methylamino)propan-2-ol
PubChem CID115476843
Molecular FormulaC8H19NO3S
Molecular Weight209.31 g/mol
Exact Mass209.11
IUPAC Name1-(3-methoxypropylsulfinyl)-3-(methylamino)propan-2-ol
SMILESCNCC(O)CS(=O)CCCOC
InChIInChI=1S/C8H19NO3S/c1-9-6-8(10)7-13(11)5-3-4-12-2/h8-10H,3-7H2,1-2H3
InChIKeyUZLODYIRKPOVOF-UHFFFAOYSA-N
XLogP-0.65
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.31
LogP ≤ 5-0.65
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

1-(3-methoxypropylsulfinyl)-N-propylpropan-2-amine
CID 64659989
1-(3-methoxypropylsulfanyl)-3-(methylamino)propan-2-ol
CID 63855931
N-ethyl-1-(3-methoxypropylsulfinyl)pentan-2-amine
CID 64660381
1-(4-methoxybutylsulfinyl)butan-2-amine
CID 104651021
4-(3-methoxypropylsulfinyl)butan-2-one
CID 64637023
1-butylsulfinyl-3-methoxy-N-methylpropan-2-amine
CID 107508809
1-[bis(2-methoxyethyl)amino]-3-(methylamino)propan-2-ol
CID 61418429
1-(2,4-dimethylphenyl)-2-(3-methoxypropylsulfinyl)-N-methylethanamine
CID 64657635
N-ethyl-2-(3-methoxypropylsulfinyl)-1-phenylethanamine
CID 64658613
1-(2-methoxyethylsulfinyl)-N-methylbutan-2-amine
CID 64652884
1-[3-(2-methoxyethoxy)propylsulfinyl]butan-2-amine
CID 103416100
5-(3-methoxypropylsulfinyl)-2,2-dimethylpentan-1-amine
CID 81333066

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxypropylsulfinyl)-3-(methylamino)propan-2-ol?
The IUPAC name of 1-(3-methoxypropylsulfinyl)-3-(methylamino)propan-2-ol (CID 115476843) is 1-(3-methoxypropylsulfinyl)-3-(methylamino)propan-2-ol.
What is the SMILES notation for 1-(3-methoxypropylsulfinyl)-3-(methylamino)propan-2-ol?
The canonical SMILES for 1-(3-methoxypropylsulfinyl)-3-(methylamino)propan-2-ol is CNCC(O)CS(=O)CCCOC.
What is the InChIKey of 1-(3-methoxypropylsulfinyl)-3-(methylamino)propan-2-ol?
The InChIKey is UZLODYIRKPOVOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NO3S/c1-9-6-8(10)7-13(11)5-3-4-12-2/h8-10H,3-7H2,1-2H3.
What are the key properties of 1-(3-methoxypropylsulfinyl)-3-(methylamino)propan-2-ol?
1-(3-methoxypropylsulfinyl)-3-(methylamino)propan-2-ol has a molecular weight of 209.31 g/mol, XLogP of -0.65, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxypropylsulfinyl)-3-(methylamino)propan-2-ol is sourced from PubChem (CID 115476843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).