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

C8H19NO2S — CID 63855931

IUPAC1-(3-methoxypropylsulfanyl)-3-(methylamino)propan-2-ol
SMILESCNCC(O)CSCCCOC
InChIInChI=1S/C8H19NO2S/c1-9-6-8(10)7-12-5-3-4-11-2/h8-10H,3-7H2,1-2H3
InChIKeyHFGGWLWNZYFQEV-UHFFFAOYSA-N
MW193.31 g/mol
LogP0.34
Rot. Bonds8

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

1-(3-methoxypropylsulfanyl)-3-(methylamino)propan-2-ol (PubChem CID 63855931) has the molecular formula C8H19NO2S and a molecular weight of 193.31 g/mol. Its IUPAC name is 1-(3-methoxypropylsulfanyl)-3-(methylamino)propan-2-ol.

Molecular Properties

Compound Name1-(3-methoxypropylsulfanyl)-3-(methylamino)propan-2-ol
PubChem CID63855931
Molecular FormulaC8H19NO2S
Molecular Weight193.31 g/mol
Exact Mass193.11
IUPAC Name1-(3-methoxypropylsulfanyl)-3-(methylamino)propan-2-ol
SMILESCNCC(O)CSCCCOC
InChIInChI=1S/C8H19NO2S/c1-9-6-8(10)7-12-5-3-4-11-2/h8-10H,3-7H2,1-2H3
InChIKeyHFGGWLWNZYFQEV-UHFFFAOYSA-N
XLogP0.34
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.31
LogP ≤ 50.34
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-methoxypropylsulfanyl)-3-(2-methylpropylamino)propan-2-ol
CID 115476409
1-methoxy-3-(3-methoxypropylsulfanyl)propan-2-ol
CID 63930065
1-butoxy-3-(3-methoxypropylsulfanyl)propan-2-ol
CID 107264118
4-(3-methoxypropylsulfanyl)-3-(methylamino)butan-1-ol
CID 64928738
2-(3-methoxypropylsulfanyl)-N-methylpropan-1-amine
CID 63857263
1-butylsulfanyl-3-methoxypropan-2-ol
CID 13430383
1-[bis(2-methoxyethyl)amino]-3-(methylamino)propan-2-ol
CID 61418429
1-(3-methoxypropylsulfinyl)-3-(methylamino)propan-2-ol
CID 115476843
1-[2-(diethylamino)ethylsulfanyl]-3-(2-methoxyethylamino)propan-2-ol
CID 113317899
3-[2-(2-methoxyethoxy)ethylsulfanyl]propane-1,2-diol
CID 79682128
ethyl 3-(3-methoxypropylsulfanyl)-2-methylpropanoate
CID 63856088
3-hydroxy-4-(2-methoxyethylsulfanyl)butanoic acid
CID 82775924

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxypropylsulfanyl)-3-(methylamino)propan-2-ol?
The IUPAC name of 1-(3-methoxypropylsulfanyl)-3-(methylamino)propan-2-ol (CID 63855931) is 1-(3-methoxypropylsulfanyl)-3-(methylamino)propan-2-ol.
What is the SMILES notation for 1-(3-methoxypropylsulfanyl)-3-(methylamino)propan-2-ol?
The canonical SMILES for 1-(3-methoxypropylsulfanyl)-3-(methylamino)propan-2-ol is CNCC(O)CSCCCOC.
What is the InChIKey of 1-(3-methoxypropylsulfanyl)-3-(methylamino)propan-2-ol?
The InChIKey is HFGGWLWNZYFQEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NO2S/c1-9-6-8(10)7-12-5-3-4-11-2/h8-10H,3-7H2,1-2H3.
What are the key properties of 1-(3-methoxypropylsulfanyl)-3-(methylamino)propan-2-ol?
1-(3-methoxypropylsulfanyl)-3-(methylamino)propan-2-ol has a molecular weight of 193.31 g/mol, XLogP of 0.34, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxypropylsulfanyl)-3-(methylamino)propan-2-ol is sourced from PubChem (CID 63855931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).