1-amino-4-(3-methoxyphenyl)sulfanylbutan-2-ol

C11H17NO2S — CID 64813407

IUPAC1-amino-4-(3-methoxyphenyl)sulfanylbutan-2-ol
SMILESCOc1cccc(SCCC(O)CN)c1
InChIInChI=1S/C11H17NO2S/c1-14-10-3-2-4-11(7-10)15-6-5-9(13)8-12/h2-4,7,9,13H,5-6,8,12H2,1H3
InChIKeyGHYYDAAFGFJNTD-UHFFFAOYSA-N
MW227.33 g/mol
LogP1.50
Rot. Bonds6

About 1-amino-4-(3-methoxyphenyl)sulfanylbutan-2-ol

1-amino-4-(3-methoxyphenyl)sulfanylbutan-2-ol (PubChem CID 64813407) has the molecular formula C11H17NO2S and a molecular weight of 227.33 g/mol. Its IUPAC name is 1-amino-4-(3-methoxyphenyl)sulfanylbutan-2-ol.

Molecular Properties

Compound Name1-amino-4-(3-methoxyphenyl)sulfanylbutan-2-ol
PubChem CID64813407
Molecular FormulaC11H17NO2S
Molecular Weight227.33 g/mol
Exact Mass227.10
IUPAC Name1-amino-4-(3-methoxyphenyl)sulfanylbutan-2-ol
SMILESCOc1cccc(SCCC(O)CN)c1
InChIInChI=1S/C11H17NO2S/c1-14-10-3-2-4-11(7-10)15-6-5-9(13)8-12/h2-4,7,9,13H,5-6,8,12H2,1H3
InChIKeyGHYYDAAFGFJNTD-UHFFFAOYSA-N
XLogP1.50
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-methoxyphenyl)sulfanylethanol
CID 2759720
4-(3-methoxyphenyl)sulfanyl-2-(methylamino)butan-1-ol
CID 64805744
(2R)-1-(3-methoxyphenyl)sulfanylpropan-2-ol
CID 106933261
3-(3-methoxyphenyl)sulfanyl-2-methylpropanoic acid
CID 43538137
3-(3-methoxyphenyl)sulfanyl-N-propan-2-ylpropan-1-amine
CID 61385968
1-(3-methoxyphenyl)sulfanylethanol
CID 53443542
1-amino-3-(2-amino-5-methoxyphenyl)sulfanylpropan-2-ol
CID 104643516
3-(3-methoxyphenyl)sulfanylpentan-1-amine
CID 43530332
5-(3-methoxyphenyl)sulfanylpentanehydrazide
CID 63580608
(Z)-2-fluoro-4-(3-methoxyphenyl)sulfanylbut-2-en-1-amine;hydrochloride
CID 66983268
6-(3-methoxyphenyl)sulfanylhexan-3-one
CID 104623576
2-(3-methoxyphenyl)sulfanyl-2-(4-methylphenyl)ethanamine
CID 55016420

Frequently Asked Questions

What is the IUPAC name of 1-amino-4-(3-methoxyphenyl)sulfanylbutan-2-ol?
The IUPAC name of 1-amino-4-(3-methoxyphenyl)sulfanylbutan-2-ol (CID 64813407) is 1-amino-4-(3-methoxyphenyl)sulfanylbutan-2-ol.
What is the SMILES notation for 1-amino-4-(3-methoxyphenyl)sulfanylbutan-2-ol?
The canonical SMILES for 1-amino-4-(3-methoxyphenyl)sulfanylbutan-2-ol is COc1cccc(SCCC(O)CN)c1.
What is the InChIKey of 1-amino-4-(3-methoxyphenyl)sulfanylbutan-2-ol?
The InChIKey is GHYYDAAFGFJNTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2S/c1-14-10-3-2-4-11(7-10)15-6-5-9(13)8-12/h2-4,7,9,13H,5-6,8,12H2,1H3.
What are the key properties of 1-amino-4-(3-methoxyphenyl)sulfanylbutan-2-ol?
1-amino-4-(3-methoxyphenyl)sulfanylbutan-2-ol has a molecular weight of 227.33 g/mol, XLogP of 1.50, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-4-(3-methoxyphenyl)sulfanylbutan-2-ol is sourced from PubChem (CID 64813407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).