3-[3-methoxy-2-(propylamino)propyl]sulfanylbutan-2-ol

C11H25NO2S — CID 107772434

IUPAC3-[3-methoxy-2-(propylamino)propyl]sulfanylbutan-2-ol
SMILESCCCNC(COC)CSC(C)C(C)O
InChIInChI=1S/C11H25NO2S/c1-5-6-12-11(7-14-4)8-15-10(3)9(2)13/h9-13H,5-8H2,1-4H3
InChIKeyVOZKKDGGFCTMIF-UHFFFAOYSA-N
MW235.39 g/mol
LogP1.50
Rot. Bonds9

About 3-[3-methoxy-2-(propylamino)propyl]sulfanylbutan-2-ol

3-[3-methoxy-2-(propylamino)propyl]sulfanylbutan-2-ol (PubChem CID 107772434) has the molecular formula C11H25NO2S and a molecular weight of 235.39 g/mol. Its IUPAC name is 3-[3-methoxy-2-(propylamino)propyl]sulfanylbutan-2-ol.

Molecular Properties

Compound Name3-[3-methoxy-2-(propylamino)propyl]sulfanylbutan-2-ol
PubChem CID107772434
Molecular FormulaC11H25NO2S
Molecular Weight235.39 g/mol
Exact Mass235.16
IUPAC Name3-[3-methoxy-2-(propylamino)propyl]sulfanylbutan-2-ol
SMILESCCCNC(COC)CSC(C)C(C)O
InChIInChI=1S/C11H25NO2S/c1-5-6-12-11(7-14-4)8-15-10(3)9(2)13/h9-13H,5-8H2,1-4H3
InChIKeyVOZKKDGGFCTMIF-UHFFFAOYSA-N
XLogP1.50
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.39
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 3-(3-hydroxybutan-2-ylsulfanyl)-2-(propylamino)propanoate
CID 107771748
2-[2-(ethylamino)-3-methoxypropyl]sulfanylpropan-1-ol
CID 107511551
1-[2-(dimethylamino)ethylsulfanyl]-3-methoxy-N-propylpropan-2-amine
CID 107511523
1-methylsulfanyl-3-propan-2-yloxy-N-propylpropan-2-amine
CID 79575196
1-methoxy-3-pentan-2-yloxy-N-propylpropan-2-amine
CID 107506976
3-methoxy-1-N-methyl-1-N-(2-methylpropyl)-2-N-propylpropane-1,2-diamine
CID 107505365
1-N,1-N-dibutyl-3-methoxy-2-N-propylpropane-1,2-diamine
CID 107505330
3-[3-(propylamino)butan-2-ylsulfanyl]butan-2-ol
CID 107772410
3-methoxy-1-N-(2-methylpropyl)-1-N-propan-2-yl-2-N-propylpropane-1,2-diamine
CID 107505564
1-N-ethyl-3-methoxy-1-N-(2-methylpropyl)-2-N-propylpropane-1,2-diamine
CID 107505371
3-methoxy-2-(nonylamino)propan-1-ol
CID 106190641
2-(decylamino)-3-methoxypropan-1-ol
CID 114155671

Frequently Asked Questions

What is the IUPAC name of 3-[3-methoxy-2-(propylamino)propyl]sulfanylbutan-2-ol?
The IUPAC name of 3-[3-methoxy-2-(propylamino)propyl]sulfanylbutan-2-ol (CID 107772434) is 3-[3-methoxy-2-(propylamino)propyl]sulfanylbutan-2-ol.
What is the SMILES notation for 3-[3-methoxy-2-(propylamino)propyl]sulfanylbutan-2-ol?
The canonical SMILES for 3-[3-methoxy-2-(propylamino)propyl]sulfanylbutan-2-ol is CCCNC(COC)CSC(C)C(C)O.
What is the InChIKey of 3-[3-methoxy-2-(propylamino)propyl]sulfanylbutan-2-ol?
The InChIKey is VOZKKDGGFCTMIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO2S/c1-5-6-12-11(7-14-4)8-15-10(3)9(2)13/h9-13H,5-8H2,1-4H3.
What are the key properties of 3-[3-methoxy-2-(propylamino)propyl]sulfanylbutan-2-ol?
3-[3-methoxy-2-(propylamino)propyl]sulfanylbutan-2-ol has a molecular weight of 235.39 g/mol, XLogP of 1.50, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-methoxy-2-(propylamino)propyl]sulfanylbutan-2-ol is sourced from PubChem (CID 107772434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).