1-benzylsulfinyl-3-(ethylamino)propan-2-ol

C12H19NO2S — CID 115476936

IUPAC1-benzylsulfinyl-3-(ethylamino)propan-2-ol
SMILESCCNCC(O)CS(=O)Cc1ccccc1
InChIInChI=1S/C12H19NO2S/c1-2-13-8-12(14)10-16(15)9-11-6-4-3-5-7-11/h3-7,12-14H,2,8-10H2,1H3
InChIKeyYAZHJKYHIQWTHV-UHFFFAOYSA-N
MW241.36 g/mol
LogP0.91
Rot. Bonds7

About 1-benzylsulfinyl-3-(ethylamino)propan-2-ol

1-benzylsulfinyl-3-(ethylamino)propan-2-ol (PubChem CID 115476936) has the molecular formula C12H19NO2S and a molecular weight of 241.36 g/mol. Its IUPAC name is 1-benzylsulfinyl-3-(ethylamino)propan-2-ol.

Molecular Properties

Compound Name1-benzylsulfinyl-3-(ethylamino)propan-2-ol
PubChem CID115476936
Molecular FormulaC12H19NO2S
Molecular Weight241.36 g/mol
Exact Mass241.11
IUPAC Name1-benzylsulfinyl-3-(ethylamino)propan-2-ol
SMILESCCNCC(O)CS(=O)Cc1ccccc1
InChIInChI=1S/C12H19NO2S/c1-2-13-8-12(14)10-16(15)9-11-6-4-3-5-7-11/h3-7,12-14H,2,8-10H2,1H3
InChIKeyYAZHJKYHIQWTHV-UHFFFAOYSA-N
XLogP0.91
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(ethylamino)-3-(2-methylpropylsulfinyl)propan-2-ol
CID 115477034
(2S)-1-[(R)-benzylsulfinyl]-3-phenoxypropan-2-ol
CID 27171525
1-(ethylamino)-3-(2-fluorophenyl)sulfinylpropan-2-ol
CID 115476910
methyl 3-benzylsulfinyl-2-phenylpropanoate
CID 64558852
1-[(2-chlorophenyl)methylsulfinyl]-3-(2-methylpropylamino)propan-2-ol
CID 103291640
1-benzylsulfinyl-N-ethyl-3-methoxypropan-2-amine
CID 107508742
(2R)-3-[(S)-benzylsulfinyl]-2-butylsulfanylpropan-1-ol
CID 95989453
1-(ethylamino)-4,4-diphenylbutan-2-ol
CID 21411045
2-acetamido-3-benzylsulfinylpropanoic acid
CID 64583710
4-benzylsulfinyl-3-(methylamino)butan-1-ol
CID 64898646
(2R)-3-[(R)-(4-phenoxyphenyl)methylsulfinyl]propane-1,2-diol
CID 40784533
4-benzylsulfinyl-3-(2-methylhydrazinyl)butan-2-one;ethane
CID 142228119

Frequently Asked Questions

What is the IUPAC name of 1-benzylsulfinyl-3-(ethylamino)propan-2-ol?
The IUPAC name of 1-benzylsulfinyl-3-(ethylamino)propan-2-ol (CID 115476936) is 1-benzylsulfinyl-3-(ethylamino)propan-2-ol.
What is the SMILES notation for 1-benzylsulfinyl-3-(ethylamino)propan-2-ol?
The canonical SMILES for 1-benzylsulfinyl-3-(ethylamino)propan-2-ol is CCNCC(O)CS(=O)Cc1ccccc1.
What is the InChIKey of 1-benzylsulfinyl-3-(ethylamino)propan-2-ol?
The InChIKey is YAZHJKYHIQWTHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2S/c1-2-13-8-12(14)10-16(15)9-11-6-4-3-5-7-11/h3-7,12-14H,2,8-10H2,1H3.
What are the key properties of 1-benzylsulfinyl-3-(ethylamino)propan-2-ol?
1-benzylsulfinyl-3-(ethylamino)propan-2-ol has a molecular weight of 241.36 g/mol, XLogP of 0.91, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzylsulfinyl-3-(ethylamino)propan-2-ol is sourced from PubChem (CID 115476936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).