2-[cyclopropylmethyl-(2-methyl-2-methylsulfonylpropyl)amino]ethanol

C11H23NO3S — CID 115882332

IUPAC2-[cyclopropylmethyl-(2-methyl-2-methylsulfonylpropyl)amino]ethanol
SMILESCC(C)(CN(CCO)CC1CC1)S(C)(=O)=O
InChIInChI=1S/C11H23NO3S/c1-11(2,16(3,14)15)9-12(6-7-13)8-10-4-5-10/h10,13H,4-9H2,1-3H3
InChIKeyLUTUPXHFGQHVGU-UHFFFAOYSA-N
MW249.38 g/mol
LogP0.51
Rot. Bonds7

About 2-[cyclopropylmethyl-(2-methyl-2-methylsulfonylpropyl)amino]ethanol

2-[cyclopropylmethyl-(2-methyl-2-methylsulfonylpropyl)amino]ethanol (PubChem CID 115882332) has the molecular formula C11H23NO3S and a molecular weight of 249.38 g/mol. Its IUPAC name is 2-[cyclopropylmethyl-(2-methyl-2-methylsulfonylpropyl)amino]ethanol.

Molecular Properties

Compound Name2-[cyclopropylmethyl-(2-methyl-2-methylsulfonylpropyl)amino]ethanol
PubChem CID115882332
Molecular FormulaC11H23NO3S
Molecular Weight249.38 g/mol
Exact Mass249.14
IUPAC Name2-[cyclopropylmethyl-(2-methyl-2-methylsulfonylpropyl)amino]ethanol
SMILESCC(C)(CN(CCO)CC1CC1)S(C)(=O)=O
InChIInChI=1S/C11H23NO3S/c1-11(2,16(3,14)15)9-12(6-7-13)8-10-4-5-10/h10,13H,4-9H2,1-3H3
InChIKeyLUTUPXHFGQHVGU-UHFFFAOYSA-N
XLogP0.51
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.38
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 115593687
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2-[cyclopropylmethyl-[(4-methyloxan-4-yl)methyl]amino]ethanol
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2-cyclopropyl-1-N-(cyclopropylmethyl)-1-N-propylpropane-1,2-diamine
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3-[cyclobutylmethyl(2-hydroxyethyl)amino]propan-1-ol
CID 68639029
2-[cyclopropylmethyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]ethanol
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6-[cyclopropylmethyl(ethyl)amino]hexan-1-ol
CID 103737958
ethyl 2-amino-2-cyclopropyl-3-[cyclopropylmethyl(propyl)amino]propanoate
CID 63910163
2-tert-butylsulfonyl-N-ethyl-N-(piperidin-4-ylmethyl)ethanamine
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2-[2-cyclopropylethyl(2-methoxyethyl)amino]ethanol
CID 115665478

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropylmethyl-(2-methyl-2-methylsulfonylpropyl)amino]ethanol?
The IUPAC name of 2-[cyclopropylmethyl-(2-methyl-2-methylsulfonylpropyl)amino]ethanol (CID 115882332) is 2-[cyclopropylmethyl-(2-methyl-2-methylsulfonylpropyl)amino]ethanol.
What is the SMILES notation for 2-[cyclopropylmethyl-(2-methyl-2-methylsulfonylpropyl)amino]ethanol?
The canonical SMILES for 2-[cyclopropylmethyl-(2-methyl-2-methylsulfonylpropyl)amino]ethanol is CC(C)(CN(CCO)CC1CC1)S(C)(=O)=O.
What is the InChIKey of 2-[cyclopropylmethyl-(2-methyl-2-methylsulfonylpropyl)amino]ethanol?
The InChIKey is LUTUPXHFGQHVGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO3S/c1-11(2,16(3,14)15)9-12(6-7-13)8-10-4-5-10/h10,13H,4-9H2,1-3H3.
What are the key properties of 2-[cyclopropylmethyl-(2-methyl-2-methylsulfonylpropyl)amino]ethanol?
2-[cyclopropylmethyl-(2-methyl-2-methylsulfonylpropyl)amino]ethanol has a molecular weight of 249.38 g/mol, XLogP of 0.51, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropylmethyl-(2-methyl-2-methylsulfonylpropyl)amino]ethanol is sourced from PubChem (CID 115882332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).