1-[ethyl(3-ethylsulfonylpropyl)amino]-2-methylpropan-2-ol

C11H25NO3S — CID 79006146

IUPAC1-[ethyl(3-ethylsulfonylpropyl)amino]-2-methylpropan-2-ol
SMILESCCN(CCCS(=O)(=O)CC)CC(C)(C)O
InChIInChI=1S/C11H25NO3S/c1-5-12(10-11(3,4)13)8-7-9-16(14,15)6-2/h13H,5-10H2,1-4H3
InChIKeyADWBAPUBOKRRCD-UHFFFAOYSA-N
MW251.39 g/mol
LogP0.90
Rot. Bonds8

About 1-[ethyl(3-ethylsulfonylpropyl)amino]-2-methylpropan-2-ol

1-[ethyl(3-ethylsulfonylpropyl)amino]-2-methylpropan-2-ol (PubChem CID 79006146) has the molecular formula C11H25NO3S and a molecular weight of 251.39 g/mol. Its IUPAC name is 1-[ethyl(3-ethylsulfonylpropyl)amino]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[ethyl(3-ethylsulfonylpropyl)amino]-2-methylpropan-2-ol
PubChem CID79006146
Molecular FormulaC11H25NO3S
Molecular Weight251.39 g/mol
Exact Mass251.16
IUPAC Name1-[ethyl(3-ethylsulfonylpropyl)amino]-2-methylpropan-2-ol
SMILESCCN(CCCS(=O)(=O)CC)CC(C)(C)O
InChIInChI=1S/C11H25NO3S/c1-5-12(10-11(3,4)13)8-7-9-16(14,15)6-2/h13H,5-10H2,1-4H3
InChIKeyADWBAPUBOKRRCD-UHFFFAOYSA-N
XLogP0.90
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.39
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[ethyl(3-ethylsulfonylpropyl)amino]-2-methylpropan-2-ol?
The IUPAC name of 1-[ethyl(3-ethylsulfonylpropyl)amino]-2-methylpropan-2-ol (CID 79006146) is 1-[ethyl(3-ethylsulfonylpropyl)amino]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[ethyl(3-ethylsulfonylpropyl)amino]-2-methylpropan-2-ol?
The canonical SMILES for 1-[ethyl(3-ethylsulfonylpropyl)amino]-2-methylpropan-2-ol is CCN(CCCS(=O)(=O)CC)CC(C)(C)O.
What is the InChIKey of 1-[ethyl(3-ethylsulfonylpropyl)amino]-2-methylpropan-2-ol?
The InChIKey is ADWBAPUBOKRRCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO3S/c1-5-12(10-11(3,4)13)8-7-9-16(14,15)6-2/h13H,5-10H2,1-4H3.
What are the key properties of 1-[ethyl(3-ethylsulfonylpropyl)amino]-2-methylpropan-2-ol?
1-[ethyl(3-ethylsulfonylpropyl)amino]-2-methylpropan-2-ol has a molecular weight of 251.39 g/mol, XLogP of 0.90, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[ethyl(3-ethylsulfonylpropyl)amino]-2-methylpropan-2-ol is sourced from PubChem (CID 79006146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).