4-(3-methoxyphenyl)sulfinyl-3-(propylamino)butan-1-ol

C14H23NO3S — CID 64900579

IUPAC4-(3-methoxyphenyl)sulfinyl-3-(propylamino)butan-1-ol
SMILESCCCNC(CCO)CS(=O)c1cccc(OC)c1
InChIInChI=1S/C14H23NO3S/c1-3-8-15-12(7-9-16)11-19(17)14-6-4-5-13(10-14)18-2/h4-6,10,12,15-16H,3,7-9,11H2,1-2H3
InChIKeyIDBNOIGSLFSGQT-UHFFFAOYSA-N
MW285.41 g/mol
LogP1.55
Rot. Bonds9

About 4-(3-methoxyphenyl)sulfinyl-3-(propylamino)butan-1-ol

4-(3-methoxyphenyl)sulfinyl-3-(propylamino)butan-1-ol (PubChem CID 64900579) has the molecular formula C14H23NO3S and a molecular weight of 285.41 g/mol. Its IUPAC name is 4-(3-methoxyphenyl)sulfinyl-3-(propylamino)butan-1-ol.

Molecular Properties

Compound Name4-(3-methoxyphenyl)sulfinyl-3-(propylamino)butan-1-ol
PubChem CID64900579
Molecular FormulaC14H23NO3S
Molecular Weight285.41 g/mol
Exact Mass285.14
IUPAC Name4-(3-methoxyphenyl)sulfinyl-3-(propylamino)butan-1-ol
SMILESCCCNC(CCO)CS(=O)c1cccc(OC)c1
InChIInChI=1S/C14H23NO3S/c1-3-8-15-12(7-9-16)11-19(17)14-6-4-5-13(10-14)18-2/h4-6,10,12,15-16H,3,7-9,11H2,1-2H3
InChIKeyIDBNOIGSLFSGQT-UHFFFAOYSA-N
XLogP1.55
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3,4-difluorophenyl)sulfinyl-3-(propylamino)butan-1-ol
CID 64897808
4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfinyl)-3-(propylamino)butan-1-ol
CID 115479207
N-ethyl-1-(3-methoxyphenyl)sulfinyl-3,3-dimethylbutan-2-amine
CID 64659700
4-(3-methoxyphenyl)sulfinyl-N-propylpentan-2-amine
CID 64705404
2-acetamido-3-(3-methoxyphenyl)sulfinylpropanoic acid
CID 64583525
4-(2-nitrophenyl)sulfinyl-3-(propylamino)butan-1-ol
CID 64897816
N-[2-tert-butylsulfinyl-1-(3-methoxyphenyl)ethyl]propan-1-amine
CID 64653384
1-(3-methoxyphenyl)sulfinylbutan-2-one
CID 64640851
3-(3-methoxyphenyl)sulfinyl-N-methylpropan-1-amine
CID 64659138
1-(3-methoxyphenyl)sulfonyl-N-propylpentan-2-amine
CID 64645556
2-(3-methoxyphenyl)sulfinyl-N-methyl-1-(4-methylphenyl)ethanamine
CID 64659524
1-(3-methoxyphenyl)-N-propylbutan-1-amine
CID 60797906

Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxyphenyl)sulfinyl-3-(propylamino)butan-1-ol?
The IUPAC name of 4-(3-methoxyphenyl)sulfinyl-3-(propylamino)butan-1-ol (CID 64900579) is 4-(3-methoxyphenyl)sulfinyl-3-(propylamino)butan-1-ol.
What is the SMILES notation for 4-(3-methoxyphenyl)sulfinyl-3-(propylamino)butan-1-ol?
The canonical SMILES for 4-(3-methoxyphenyl)sulfinyl-3-(propylamino)butan-1-ol is CCCNC(CCO)CS(=O)c1cccc(OC)c1.
What is the InChIKey of 4-(3-methoxyphenyl)sulfinyl-3-(propylamino)butan-1-ol?
The InChIKey is IDBNOIGSLFSGQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3S/c1-3-8-15-12(7-9-16)11-19(17)14-6-4-5-13(10-14)18-2/h4-6,10,12,15-16H,3,7-9,11H2,1-2H3.
What are the key properties of 4-(3-methoxyphenyl)sulfinyl-3-(propylamino)butan-1-ol?
4-(3-methoxyphenyl)sulfinyl-3-(propylamino)butan-1-ol has a molecular weight of 285.41 g/mol, XLogP of 1.55, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxyphenyl)sulfinyl-3-(propylamino)butan-1-ol is sourced from PubChem (CID 64900579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).