2-[bis(cyclopropylmethyl)amino]-1-(4-methylsulfonylphenyl)ethanol

C17H25NO3S — CID 111382017

IUPAC2-[bis(cyclopropylmethyl)amino]-1-(4-methylsulfonylphenyl)ethanol
SMILESCS(=O)(=O)c1ccc(C(O)CN(CC2CC2)CC2CC2)cc1
InChIInChI=1S/C17H25NO3S/c1-22(20,21)16-8-6-15(7-9-16)17(19)12-18(10-13-2-3-13)11-14-4-5-14/h6-9,13-14,17,19H,2-5,10-12H2,1H3
InChIKeyLUQVTTLGQQWVPT-UHFFFAOYSA-N
MW323.46 g/mol
LogP2.25
Rot. Bonds8

About 2-[bis(cyclopropylmethyl)amino]-1-(4-methylsulfonylphenyl)ethanol

2-[bis(cyclopropylmethyl)amino]-1-(4-methylsulfonylphenyl)ethanol (PubChem CID 111382017) has the molecular formula C17H25NO3S and a molecular weight of 323.46 g/mol. Its IUPAC name is 2-[bis(cyclopropylmethyl)amino]-1-(4-methylsulfonylphenyl)ethanol.

Molecular Properties

Compound Name2-[bis(cyclopropylmethyl)amino]-1-(4-methylsulfonylphenyl)ethanol
PubChem CID111382017
Molecular FormulaC17H25NO3S
Molecular Weight323.46 g/mol
Exact Mass323.16
IUPAC Name2-[bis(cyclopropylmethyl)amino]-1-(4-methylsulfonylphenyl)ethanol
SMILESCS(=O)(=O)c1ccc(C(O)CN(CC2CC2)CC2CC2)cc1
InChIInChI=1S/C17H25NO3S/c1-22(20,21)16-8-6-15(7-9-16)17(19)12-18(10-13-2-3-13)11-14-4-5-14/h6-9,13-14,17,19H,2-5,10-12H2,1H3
InChIKeyLUQVTTLGQQWVPT-UHFFFAOYSA-N
XLogP2.25
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.46
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[bis(cyclopropylmethyl)amino]-1-(4-methylsulfonylphenyl)ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[cyclopropyl(3-methylbutyl)amino]-1-(4-methylsulfonylphenyl)ethanol
CID 110898512
2-bromo-1-(4-methylsulfonylphenyl)ethanol
CID 13337385
2-[ethyl(methyl)amino]-1-(4-methylsulfonylphenyl)ethanol
CID 110899571
1-(4-aminophenyl)-2-[cyclopropylmethyl(ethyl)amino]ethanol
CID 63954700
3-[ethyl-[2-hydroxy-2-(4-methylsulfonylphenyl)ethyl]amino]propanenitrile
CID 111634222
1-(4-aminophenyl)-2-[cyclopropylmethyl(propyl)amino]ethanol
CID 55055537
2-[cyclopropylmethyl(propyl)amino]-1-(4-fluorophenyl)ethanol
CID 110883262
(1R)-2-[cyclopropylmethyl(propyl)amino]-1-phenylethanol
CID 2416449
2-[cyclopropylmethyl(ethyl)amino]-1-(4-ethoxyphenyl)ethanol
CID 63954434
cyclopentyl-(4-methylsulfonylphenyl)methanol
CID 115840633
2-(cyclobutylamino)-1-(4-methylsulfonylphenyl)ethanol
CID 62414957
1-(4-methylsulfonylphenyl)-2-(oxan-3-ylmethylamino)ethanol
CID 61019335

Frequently Asked Questions

What is the IUPAC name of 2-[bis(cyclopropylmethyl)amino]-1-(4-methylsulfonylphenyl)ethanol?
The IUPAC name of 2-[bis(cyclopropylmethyl)amino]-1-(4-methylsulfonylphenyl)ethanol (CID 111382017) is 2-[bis(cyclopropylmethyl)amino]-1-(4-methylsulfonylphenyl)ethanol.
What is the SMILES notation for 2-[bis(cyclopropylmethyl)amino]-1-(4-methylsulfonylphenyl)ethanol?
The canonical SMILES for 2-[bis(cyclopropylmethyl)amino]-1-(4-methylsulfonylphenyl)ethanol is CS(=O)(=O)c1ccc(C(O)CN(CC2CC2)CC2CC2)cc1.
What is the InChIKey of 2-[bis(cyclopropylmethyl)amino]-1-(4-methylsulfonylphenyl)ethanol?
The InChIKey is LUQVTTLGQQWVPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO3S/c1-22(20,21)16-8-6-15(7-9-16)17(19)12-18(10-13-2-3-13)11-14-4-5-14/h6-9,13-14,17,19H,2-5,10-12H2,1H3.
What are the key properties of 2-[bis(cyclopropylmethyl)amino]-1-(4-methylsulfonylphenyl)ethanol?
2-[bis(cyclopropylmethyl)amino]-1-(4-methylsulfonylphenyl)ethanol has a molecular weight of 323.46 g/mol, XLogP of 2.25, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(cyclopropylmethyl)amino]-1-(4-methylsulfonylphenyl)ethanol is sourced from PubChem (CID 111382017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).