3-(methylamino)-4-naphthalen-2-ylsulfinylbutan-1-ol

C15H19NO2S — CID 64898224

IUPAC3-(methylamino)-4-naphthalen-2-ylsulfinylbutan-1-ol
SMILESCNC(CCO)CS(=O)c1ccc2ccccc2c1
InChIInChI=1S/C15H19NO2S/c1-16-14(8-9-17)11-19(18)15-7-6-12-4-2-3-5-13(12)10-15/h2-7,10,14,16-17H,8-9,11H2,1H3
InChIKeyPSIZXVCOKSVUPB-UHFFFAOYSA-N
MW277.39 g/mol
LogP1.92
Rot. Bonds6

About 3-(methylamino)-4-naphthalen-2-ylsulfinylbutan-1-ol

3-(methylamino)-4-naphthalen-2-ylsulfinylbutan-1-ol (PubChem CID 64898224) has the molecular formula C15H19NO2S and a molecular weight of 277.39 g/mol. Its IUPAC name is 3-(methylamino)-4-naphthalen-2-ylsulfinylbutan-1-ol.

Molecular Properties

Compound Name3-(methylamino)-4-naphthalen-2-ylsulfinylbutan-1-ol
PubChem CID64898224
Molecular FormulaC15H19NO2S
Molecular Weight277.39 g/mol
Exact Mass277.11
IUPAC Name3-(methylamino)-4-naphthalen-2-ylsulfinylbutan-1-ol
SMILESCNC(CCO)CS(=O)c1ccc2ccccc2c1
InChIInChI=1S/C15H19NO2S/c1-16-14(8-9-17)11-19(18)15-7-6-12-4-2-3-5-13(12)10-15/h2-7,10,14,16-17H,8-9,11H2,1H3
InChIKeyPSIZXVCOKSVUPB-UHFFFAOYSA-N
XLogP1.92
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(methylamino)-4-(4-propan-2-ylphenyl)sulfinylbutan-1-ol
CID 64900376
3-(methylamino)-4-thiophen-2-ylsulfinylbutan-1-ol
CID 64900182
4-benzylsulfinyl-3-(methylamino)butan-1-ol
CID 64898646
N-(2-hydroxyethyl)-2-[(R)-naphthalen-2-ylsulfinyl]acetamide
CID 129383103
4-(3-methoxyphenyl)sulfinyl-3-(propylamino)butan-1-ol
CID 64900579
4-(3,4-difluorophenyl)sulfinyl-3-(propylamino)butan-1-ol
CID 64897808
N-methyl-1-[3-(trifluoromethyl)phenyl]sulfinylpentan-2-amine
CID 115478128
N,N-dimethylnaphthalene-2-sulfinamide
CID 139632027
1-(3-bromophenyl)sulfinyl-N-methylbutan-2-amine
CID 64657409
4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfinyl)-3-(propylamino)butan-1-ol
CID 115479207
4-naphthalen-2-ylsulfinylbutanoic acid
CID 61302772
3-(ethylamino)-4-naphthalen-2-ylsulfonylbutan-1-ol
CID 64899704

Frequently Asked Questions

What is the IUPAC name of 3-(methylamino)-4-naphthalen-2-ylsulfinylbutan-1-ol?
The IUPAC name of 3-(methylamino)-4-naphthalen-2-ylsulfinylbutan-1-ol (CID 64898224) is 3-(methylamino)-4-naphthalen-2-ylsulfinylbutan-1-ol.
What is the SMILES notation for 3-(methylamino)-4-naphthalen-2-ylsulfinylbutan-1-ol?
The canonical SMILES for 3-(methylamino)-4-naphthalen-2-ylsulfinylbutan-1-ol is CNC(CCO)CS(=O)c1ccc2ccccc2c1.
What is the InChIKey of 3-(methylamino)-4-naphthalen-2-ylsulfinylbutan-1-ol?
The InChIKey is PSIZXVCOKSVUPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2S/c1-16-14(8-9-17)11-19(18)15-7-6-12-4-2-3-5-13(12)10-15/h2-7,10,14,16-17H,8-9,11H2,1H3.
What are the key properties of 3-(methylamino)-4-naphthalen-2-ylsulfinylbutan-1-ol?
3-(methylamino)-4-naphthalen-2-ylsulfinylbutan-1-ol has a molecular weight of 277.39 g/mol, XLogP of 1.92, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylamino)-4-naphthalen-2-ylsulfinylbutan-1-ol is sourced from PubChem (CID 64898224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).