2-[3-methylsulfonylpropyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]ethanol

C16H25NO3S — CID 111333650

IUPAC2-[3-methylsulfonylpropyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]ethanol
SMILESCS(=O)(=O)CCCN(CCO)C1CCCc2ccccc21
InChIInChI=1S/C16H25NO3S/c1-21(19,20)13-5-10-17(11-12-18)16-9-4-7-14-6-2-3-8-15(14)16/h2-3,6,8,16,18H,4-5,7,9-13H2,1H3
InChIKeyTWPIMXGJNMDREJ-UHFFFAOYSA-N
MW311.45 g/mol
LogP1.79
Rot. Bonds7

About 2-[3-methylsulfonylpropyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]ethanol

2-[3-methylsulfonylpropyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]ethanol (PubChem CID 111333650) has the molecular formula C16H25NO3S and a molecular weight of 311.45 g/mol. Its IUPAC name is 2-[3-methylsulfonylpropyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]ethanol.

Molecular Properties

Compound Name2-[3-methylsulfonylpropyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]ethanol
PubChem CID111333650
Molecular FormulaC16H25NO3S
Molecular Weight311.45 g/mol
Exact Mass311.16
IUPAC Name2-[3-methylsulfonylpropyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]ethanol
SMILESCS(=O)(=O)CCCN(CCO)C1CCCc2ccccc21
InChIInChI=1S/C16H25NO3S/c1-21(19,20)13-5-10-17(11-12-18)16-9-4-7-14-6-2-3-8-15(14)16/h2-3,6,8,16,18H,4-5,7,9-13H2,1H3
InChIKeyTWPIMXGJNMDREJ-UHFFFAOYSA-N
XLogP1.79
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-methylsulfonylethyl-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethanol
CID 96547860
N-(2-hydroxyethyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)butane-1-sulfonamide
CID 111440055
3-[3-methoxypropyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]propan-1-ol
CID 111799443
5-[2-hydroxyethyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]-2,2-dimethylpentanenitrile
CID 111565121
2-[2-(benzenesulfinyl)ethyl-(1,2,3,4-tetrahydronaphthalen-1-yl)amino]ethanol
CID 111333651
3-[2,3-dihydro-1H-inden-1-yl(3-hydroxypropyl)amino]propan-1-ol
CID 111333724
N-[2-[[(1S)-2,3-dihydro-1H-inden-1-yl]-(2-hydroxyethyl)amino]ethyl]ethanesulfonamide
CID 95627739
1-[2-[3-hydroxypropyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]ethyl]pyrrolidine-2,5-dione
CID 111799408
N-[3-[[2-hydroxyethyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]methyl]phenyl]acetamide
CID 111333629
3-[2,3-dihydro-1H-inden-1-yl(3-methoxypropyl)amino]propan-1-ol
CID 111333716
2-[carboxymethyl-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]acetic acid
CID 118026801
2-[cyclohexyl(3-methylsulfonylpropyl)amino]ethanol
CID 55163330

Frequently Asked Questions

What is the IUPAC name of 2-[3-methylsulfonylpropyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]ethanol?
The IUPAC name of 2-[3-methylsulfonylpropyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]ethanol (CID 111333650) is 2-[3-methylsulfonylpropyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]ethanol.
What is the SMILES notation for 2-[3-methylsulfonylpropyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]ethanol?
The canonical SMILES for 2-[3-methylsulfonylpropyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]ethanol is CS(=O)(=O)CCCN(CCO)C1CCCc2ccccc21.
What is the InChIKey of 2-[3-methylsulfonylpropyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]ethanol?
The InChIKey is TWPIMXGJNMDREJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3S/c1-21(19,20)13-5-10-17(11-12-18)16-9-4-7-14-6-2-3-8-15(14)16/h2-3,6,8,16,18H,4-5,7,9-13H2,1H3.
What are the key properties of 2-[3-methylsulfonylpropyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]ethanol?
2-[3-methylsulfonylpropyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]ethanol has a molecular weight of 311.45 g/mol, XLogP of 1.79, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-methylsulfonylpropyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]ethanol is sourced from PubChem (CID 111333650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).