4-(3-methoxyphenyl)sulfanyl-2-(methylamino)butan-1-ol

C12H19NO2S — CID 64805744

IUPAC4-(3-methoxyphenyl)sulfanyl-2-(methylamino)butan-1-ol
SMILESCNC(CO)CCSc1cccc(OC)c1
InChIInChI=1S/C12H19NO2S/c1-13-10(9-14)6-7-16-12-5-3-4-11(8-12)15-2/h3-5,8,10,13-14H,6-7,9H2,1-2H3
InChIKeyXYQBXFPVDJFDCM-UHFFFAOYSA-N
MW241.36 g/mol
LogP1.76
Rot. Bonds7

About 4-(3-methoxyphenyl)sulfanyl-2-(methylamino)butan-1-ol

4-(3-methoxyphenyl)sulfanyl-2-(methylamino)butan-1-ol (PubChem CID 64805744) has the molecular formula C12H19NO2S and a molecular weight of 241.36 g/mol. Its IUPAC name is 4-(3-methoxyphenyl)sulfanyl-2-(methylamino)butan-1-ol.

Molecular Properties

Compound Name4-(3-methoxyphenyl)sulfanyl-2-(methylamino)butan-1-ol
PubChem CID64805744
Molecular FormulaC12H19NO2S
Molecular Weight241.36 g/mol
Exact Mass241.11
IUPAC Name4-(3-methoxyphenyl)sulfanyl-2-(methylamino)butan-1-ol
SMILESCNC(CO)CCSc1cccc(OC)c1
InChIInChI=1S/C12H19NO2S/c1-13-10(9-14)6-7-16-12-5-3-4-11(8-12)15-2/h3-5,8,10,13-14H,6-7,9H2,1-2H3
InChIKeyXYQBXFPVDJFDCM-UHFFFAOYSA-N
XLogP1.76
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(methylamino)-4-(3-methylphenyl)sulfanylbutan-1-ol
CID 64806432
2-(3-methoxyphenyl)sulfanylethanol
CID 2759720
1-amino-4-(3-methoxyphenyl)sulfanylbutan-2-ol
CID 64813407
3-(3-methoxyphenyl)sulfanyl-N-propan-2-ylpropan-1-amine
CID 61385968
(2R)-1-(3-methoxyphenyl)sulfanylpropan-2-ol
CID 106933261
3-(3-methoxyphenyl)sulfanyl-N-(methylcarbamoyl)propanamide
CID 47154225
2-ethyl-2-(ethylamino)-5-(3-methoxyphenyl)sulfanylpentan-1-ol
CID 106810884
N-ethyl-3-(3-methoxyphenyl)sulfanylpropan-1-amine
CID 61385948
2-(methylamino)-4-(4-methylsulfonylphenyl)sulfanylbutan-1-ol
CID 64808217
N-[2-(3-methoxyphenyl)sulfanylethyl]heptan-2-amine
CID 62582425
2-(3-methoxyphenyl)sulfanyl-N-[2-(methylamino)ethyl]acetamide
CID 119503641
2-(cyclopropylamino)-4-(3-methoxyphenyl)sulfanyl-2-methylbutan-1-ol
CID 64807612

Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxyphenyl)sulfanyl-2-(methylamino)butan-1-ol?
The IUPAC name of 4-(3-methoxyphenyl)sulfanyl-2-(methylamino)butan-1-ol (CID 64805744) is 4-(3-methoxyphenyl)sulfanyl-2-(methylamino)butan-1-ol.
What is the SMILES notation for 4-(3-methoxyphenyl)sulfanyl-2-(methylamino)butan-1-ol?
The canonical SMILES for 4-(3-methoxyphenyl)sulfanyl-2-(methylamino)butan-1-ol is CNC(CO)CCSc1cccc(OC)c1.
What is the InChIKey of 4-(3-methoxyphenyl)sulfanyl-2-(methylamino)butan-1-ol?
The InChIKey is XYQBXFPVDJFDCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2S/c1-13-10(9-14)6-7-16-12-5-3-4-11(8-12)15-2/h3-5,8,10,13-14H,6-7,9H2,1-2H3.
What are the key properties of 4-(3-methoxyphenyl)sulfanyl-2-(methylamino)butan-1-ol?
4-(3-methoxyphenyl)sulfanyl-2-(methylamino)butan-1-ol has a molecular weight of 241.36 g/mol, XLogP of 1.76, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxyphenyl)sulfanyl-2-(methylamino)butan-1-ol is sourced from PubChem (CID 64805744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).