2-[cyclohexyl(3-methylsulfonylpropyl)amino]ethanol

C12H25NO3S — CID 55163330

IUPAC2-[cyclohexyl(3-methylsulfonylpropyl)amino]ethanol
SMILESCS(=O)(=O)CCCN(CCO)C1CCCCC1
InChIInChI=1S/C12H25NO3S/c1-17(15,16)11-5-8-13(9-10-14)12-6-3-2-4-7-12/h12,14H,2-11H2,1H3
InChIKeyJIYFGOLQMVHTAW-UHFFFAOYSA-N
MW263.40 g/mol
LogP1.05
Rot. Bonds7

About 2-[cyclohexyl(3-methylsulfonylpropyl)amino]ethanol

2-[cyclohexyl(3-methylsulfonylpropyl)amino]ethanol (PubChem CID 55163330) has the molecular formula C12H25NO3S and a molecular weight of 263.40 g/mol. Its IUPAC name is 2-[cyclohexyl(3-methylsulfonylpropyl)amino]ethanol.

Molecular Properties

Compound Name2-[cyclohexyl(3-methylsulfonylpropyl)amino]ethanol
PubChem CID55163330
Molecular FormulaC12H25NO3S
Molecular Weight263.40 g/mol
Exact Mass263.16
IUPAC Name2-[cyclohexyl(3-methylsulfonylpropyl)amino]ethanol
SMILESCS(=O)(=O)CCCN(CCO)C1CCCCC1
InChIInChI=1S/C12H25NO3S/c1-17(15,16)11-5-8-13(9-10-14)12-6-3-2-4-7-12/h12,14H,2-11H2,1H3
InChIKeyJIYFGOLQMVHTAW-UHFFFAOYSA-N
XLogP1.05
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.40
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-bromopropyl)-N-(3-methylsulfonylpropyl)cyclobutanamine
CID 102860067
2-[cyclohexyl(2-hydroxyethyl)amino]ethanol;nickel
CID 88833532
3-[cyclopropyl(2-hydroxyethyl)amino]-N-methylpropane-1-sulfonamide
CID 111113309
N-cyclohexyl-N-(2-hydroxyethyl)-3-methylsulfonylpropanamide
CID 54942745
2-[cyclopentyl(octyl)amino]ethanol
CID 62015443
2-[3-chloropropyl(cyclopentyl)amino]ethanol
CID 55208194
2-[3-methylsulfonylpropyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]ethanol
CID 111333650
2-[cyclopentyl(4-methoxybutyl)amino]ethanol
CID 115679647
3-[cyclohexyl(2-hydroxyethyl)amino]propanal
CID 63039607
2-[2-hydroxyethyl(3-methylsulfonylpropyl)amino]ethanol
CID 63196306
3-[cyclopropyl(2-hydroxyethyl)amino]propan-1-ol
CID 61067850
5-[cyclobutyl(2-hydroxyethyl)amino]pentanoic acid
CID 102863962

Frequently Asked Questions

What is the IUPAC name of 2-[cyclohexyl(3-methylsulfonylpropyl)amino]ethanol?
The IUPAC name of 2-[cyclohexyl(3-methylsulfonylpropyl)amino]ethanol (CID 55163330) is 2-[cyclohexyl(3-methylsulfonylpropyl)amino]ethanol.
What is the SMILES notation for 2-[cyclohexyl(3-methylsulfonylpropyl)amino]ethanol?
The canonical SMILES for 2-[cyclohexyl(3-methylsulfonylpropyl)amino]ethanol is CS(=O)(=O)CCCN(CCO)C1CCCCC1.
What is the InChIKey of 2-[cyclohexyl(3-methylsulfonylpropyl)amino]ethanol?
The InChIKey is JIYFGOLQMVHTAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO3S/c1-17(15,16)11-5-8-13(9-10-14)12-6-3-2-4-7-12/h12,14H,2-11H2,1H3.
What are the key properties of 2-[cyclohexyl(3-methylsulfonylpropyl)amino]ethanol?
2-[cyclohexyl(3-methylsulfonylpropyl)amino]ethanol has a molecular weight of 263.40 g/mol, XLogP of 1.05, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclohexyl(3-methylsulfonylpropyl)amino]ethanol is sourced from PubChem (CID 55163330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).