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

C11H25NO2S — CID 115476409

IUPAC1-(3-methoxypropylsulfanyl)-3-(2-methylpropylamino)propan-2-ol
SMILESCOCCCSCC(O)CNCC(C)C
InChIInChI=1S/C11H25NO2S/c1-10(2)7-12-8-11(13)9-15-6-4-5-14-3/h10-13H,4-9H2,1-3H3
InChIKeyGMUJZNWOEHCVEO-UHFFFAOYSA-N
MW235.39 g/mol
LogP1.36
Rot. Bonds10

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

1-(3-methoxypropylsulfanyl)-3-(2-methylpropylamino)propan-2-ol (PubChem CID 115476409) has the molecular formula C11H25NO2S and a molecular weight of 235.39 g/mol. Its IUPAC name is 1-(3-methoxypropylsulfanyl)-3-(2-methylpropylamino)propan-2-ol.

Molecular Properties

Compound Name1-(3-methoxypropylsulfanyl)-3-(2-methylpropylamino)propan-2-ol
PubChem CID115476409
Molecular FormulaC11H25NO2S
Molecular Weight235.39 g/mol
Exact Mass235.16
IUPAC Name1-(3-methoxypropylsulfanyl)-3-(2-methylpropylamino)propan-2-ol
SMILESCOCCCSCC(O)CNCC(C)C
InChIInChI=1S/C11H25NO2S/c1-10(2)7-12-8-11(13)9-15-6-4-5-14-3/h10-13H,4-9H2,1-3H3
InChIKeyGMUJZNWOEHCVEO-UHFFFAOYSA-N
XLogP1.36
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.39
LogP ≤ 51.36
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-(methylamino)propan-2-ol
CID 63855931
1-methoxy-3-(3-methoxypropylsulfanyl)propan-2-ol
CID 63930065
1-butoxy-3-(3-methoxypropylsulfanyl)propan-2-ol
CID 107264118
1-[2-(diethylamino)ethylsulfanyl]-3-(2-methoxyethylamino)propan-2-ol
CID 113317899
4-(3-methoxypropylsulfanyl)-3-(methylamino)butan-1-ol
CID 64928738
1-methoxy-3-(2-methylpropylsulfanyl)propan-2-ol
CID 63928593
1-butylsulfanyl-3-methoxypropan-2-ol
CID 13430383
7-methoxy-N-(2-methylpropyl)heptan-1-amine
CID 104650031
ethyl 3-(3-methoxypropylsulfanyl)-2-methylpropanoate
CID 63856088
N-[2-(3-methoxypropylsulfanyl)ethyl]-3-propan-2-yloxypropan-1-amine
CID 63857445
6-methoxy-N-(2-methylpropyl)-2-propan-2-ylhexan-1-amine
CID 104649184
(2S)-1-(2-methylpropylamino)butan-2-ol
CID 130500218

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxypropylsulfanyl)-3-(2-methylpropylamino)propan-2-ol?
The IUPAC name of 1-(3-methoxypropylsulfanyl)-3-(2-methylpropylamino)propan-2-ol (CID 115476409) is 1-(3-methoxypropylsulfanyl)-3-(2-methylpropylamino)propan-2-ol.
What is the SMILES notation for 1-(3-methoxypropylsulfanyl)-3-(2-methylpropylamino)propan-2-ol?
The canonical SMILES for 1-(3-methoxypropylsulfanyl)-3-(2-methylpropylamino)propan-2-ol is COCCCSCC(O)CNCC(C)C.
What is the InChIKey of 1-(3-methoxypropylsulfanyl)-3-(2-methylpropylamino)propan-2-ol?
The InChIKey is GMUJZNWOEHCVEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO2S/c1-10(2)7-12-8-11(13)9-15-6-4-5-14-3/h10-13H,4-9H2,1-3H3.
What are the key properties of 1-(3-methoxypropylsulfanyl)-3-(2-methylpropylamino)propan-2-ol?
1-(3-methoxypropylsulfanyl)-3-(2-methylpropylamino)propan-2-ol has a molecular weight of 235.39 g/mol, XLogP of 1.36, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxypropylsulfanyl)-3-(2-methylpropylamino)propan-2-ol is sourced from PubChem (CID 115476409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).