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

C10H23NO3S — CID 78963938

IUPAC1-[ethyl(3-methylsulfonylpropyl)amino]-2-methylpropan-2-ol
SMILESCCN(CCCS(C)(=O)=O)CC(C)(C)O
InChIInChI=1S/C10H23NO3S/c1-5-11(9-10(2,3)12)7-6-8-15(4,13)14/h12H,5-9H2,1-4H3
InChIKeyKQSXXDLHIQTPOJ-UHFFFAOYSA-N
MW237.36 g/mol
LogP0.51
Rot. Bonds7

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

1-[ethyl(3-methylsulfonylpropyl)amino]-2-methylpropan-2-ol (PubChem CID 78963938) has the molecular formula C10H23NO3S and a molecular weight of 237.36 g/mol. Its IUPAC name is 1-[ethyl(3-methylsulfonylpropyl)amino]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[ethyl(3-methylsulfonylpropyl)amino]-2-methylpropan-2-ol
PubChem CID78963938
Molecular FormulaC10H23NO3S
Molecular Weight237.36 g/mol
Exact Mass237.14
IUPAC Name1-[ethyl(3-methylsulfonylpropyl)amino]-2-methylpropan-2-ol
SMILESCCN(CCCS(C)(=O)=O)CC(C)(C)O
InChIInChI=1S/C10H23NO3S/c1-5-11(9-10(2,3)12)7-6-8-15(4,13)14/h12H,5-9H2,1-4H3
InChIKeyKQSXXDLHIQTPOJ-UHFFFAOYSA-N
XLogP0.51
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.36
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[ethyl(3-methylsulfonylpropyl)amino]-2-methylpropan-2-ol?
The IUPAC name of 1-[ethyl(3-methylsulfonylpropyl)amino]-2-methylpropan-2-ol (CID 78963938) is 1-[ethyl(3-methylsulfonylpropyl)amino]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[ethyl(3-methylsulfonylpropyl)amino]-2-methylpropan-2-ol?
The canonical SMILES for 1-[ethyl(3-methylsulfonylpropyl)amino]-2-methylpropan-2-ol is CCN(CCCS(C)(=O)=O)CC(C)(C)O.
What is the InChIKey of 1-[ethyl(3-methylsulfonylpropyl)amino]-2-methylpropan-2-ol?
The InChIKey is KQSXXDLHIQTPOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO3S/c1-5-11(9-10(2,3)12)7-6-8-15(4,13)14/h12H,5-9H2,1-4H3.
What are the key properties of 1-[ethyl(3-methylsulfonylpropyl)amino]-2-methylpropan-2-ol?
1-[ethyl(3-methylsulfonylpropyl)amino]-2-methylpropan-2-ol has a molecular weight of 237.36 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 1-[ethyl(3-methylsulfonylpropyl)amino]-2-methylpropan-2-ol is sourced from PubChem (CID 78963938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).