2-(2-tert-butylsulfonylethylamino)-2-ethylpropane-1,3-diol

C11H25NO4S — CID 107865483

IUPAC2-(2-tert-butylsulfonylethylamino)-2-ethylpropane-1,3-diol
SMILESCCC(CO)(CO)NCCS(=O)(=O)C(C)(C)C
InChIInChI=1S/C11H25NO4S/c1-5-11(8-13,9-14)12-6-7-17(15,16)10(2,3)4/h12-14H,5-9H2,1-4H3
InChIKeyJROISUSEEHAFPJ-UHFFFAOYSA-N
MW267.39 g/mol
LogP-0.08
Rot. Bonds7

About 2-(2-tert-butylsulfonylethylamino)-2-ethylpropane-1,3-diol

2-(2-tert-butylsulfonylethylamino)-2-ethylpropane-1,3-diol (PubChem CID 107865483) has the molecular formula C11H25NO4S and a molecular weight of 267.39 g/mol. Its IUPAC name is 2-(2-tert-butylsulfonylethylamino)-2-ethylpropane-1,3-diol.

Molecular Properties

Compound Name2-(2-tert-butylsulfonylethylamino)-2-ethylpropane-1,3-diol
PubChem CID107865483
Molecular FormulaC11H25NO4S
Molecular Weight267.39 g/mol
Exact Mass267.15
IUPAC Name2-(2-tert-butylsulfonylethylamino)-2-ethylpropane-1,3-diol
SMILESCCC(CO)(CO)NCCS(=O)(=O)C(C)(C)C
InChIInChI=1S/C11H25NO4S/c1-5-11(8-13,9-14)12-6-7-17(15,16)10(2,3)4/h12-14H,5-9H2,1-4H3
InChIKeyJROISUSEEHAFPJ-UHFFFAOYSA-N
XLogP-0.08
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.39
LogP ≤ 5-0.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-ethyl-2-(2-methylsulfonylethylamino)butan-1-ol
CID 62517259
2-(2-tert-butylsulfonylethylamino)-2-phenylpropan-1-ol
CID 103713971
2-ethyl-2-(4-hydroxybutylamino)propane-1,3-diol
CID 107865357
2-tert-butylsulfonylethylcarbamic acid
CID 87536259
N-(2-tert-butylsulfonylethyl)-1-methoxy-2-methylpropan-2-amine
CID 103713921
N-[3-(hydroxymethyl)pentan-3-yl]-2-methoxyethanesulfonamide
CID 62521960
2-(2-tert-butylsulfonylethylamino)-3-methylbutan-1-ol
CID 106723969
1-chloro-2-(chloromethyl)-N-(2-methylsulfonylethyl)butan-2-amine
CID 107867012
2-(2-tert-butylsulfonylethyl)-1,1-dimethylhydrazine
CID 106724235
5-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]-2,2-dimethylpentanenitrile
CID 107865253
N-(2-tert-butylsulfonylethyl)cyclopentanamine
CID 115625751
2-ethyl-2-(2-pyrrolidin-1-ylethylamino)propane-1,3-diol
CID 107912102

Frequently Asked Questions

What is the IUPAC name of 2-(2-tert-butylsulfonylethylamino)-2-ethylpropane-1,3-diol?
The IUPAC name of 2-(2-tert-butylsulfonylethylamino)-2-ethylpropane-1,3-diol (CID 107865483) is 2-(2-tert-butylsulfonylethylamino)-2-ethylpropane-1,3-diol.
What is the SMILES notation for 2-(2-tert-butylsulfonylethylamino)-2-ethylpropane-1,3-diol?
The canonical SMILES for 2-(2-tert-butylsulfonylethylamino)-2-ethylpropane-1,3-diol is CCC(CO)(CO)NCCS(=O)(=O)C(C)(C)C.
What is the InChIKey of 2-(2-tert-butylsulfonylethylamino)-2-ethylpropane-1,3-diol?
The InChIKey is JROISUSEEHAFPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO4S/c1-5-11(8-13,9-14)12-6-7-17(15,16)10(2,3)4/h12-14H,5-9H2,1-4H3.
What are the key properties of 2-(2-tert-butylsulfonylethylamino)-2-ethylpropane-1,3-diol?
2-(2-tert-butylsulfonylethylamino)-2-ethylpropane-1,3-diol has a molecular weight of 267.39 g/mol, XLogP of -0.08, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-tert-butylsulfonylethylamino)-2-ethylpropane-1,3-diol is sourced from PubChem (CID 107865483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).