4-(diethylamino)-4-methyl-1-methylsulfonylpentan-3-ol

C11H25NO3S — CID 79053348

IUPAC4-(diethylamino)-4-methyl-1-methylsulfonylpentan-3-ol
SMILESCCN(CC)C(C)(C)C(O)CCS(C)(=O)=O
InChIInChI=1S/C11H25NO3S/c1-6-12(7-2)11(3,4)10(13)8-9-16(5,14)15/h10,13H,6-9H2,1-5H3
InChIKeyTWWWQPYQCWFBSJ-UHFFFAOYSA-N
MW251.39 g/mol
LogP0.90
Rot. Bonds7

About 4-(diethylamino)-4-methyl-1-methylsulfonylpentan-3-ol

4-(diethylamino)-4-methyl-1-methylsulfonylpentan-3-ol (PubChem CID 79053348) has the molecular formula C11H25NO3S and a molecular weight of 251.39 g/mol. Its IUPAC name is 4-(diethylamino)-4-methyl-1-methylsulfonylpentan-3-ol.

Molecular Properties

Compound Name4-(diethylamino)-4-methyl-1-methylsulfonylpentan-3-ol
PubChem CID79053348
Molecular FormulaC11H25NO3S
Molecular Weight251.39 g/mol
Exact Mass251.16
IUPAC Name4-(diethylamino)-4-methyl-1-methylsulfonylpentan-3-ol
SMILESCCN(CC)C(C)(C)C(O)CCS(C)(=O)=O
InChIInChI=1S/C11H25NO3S/c1-6-12(7-2)11(3,4)10(13)8-9-16(5,14)15/h10,13H,6-9H2,1-5H3
InChIKeyTWWWQPYQCWFBSJ-UHFFFAOYSA-N
XLogP0.90
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
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 4-(diethylamino)-4-methyl-1-methylsulfonylpentan-3-ol?
The IUPAC name of 4-(diethylamino)-4-methyl-1-methylsulfonylpentan-3-ol (CID 79053348) is 4-(diethylamino)-4-methyl-1-methylsulfonylpentan-3-ol.
What is the SMILES notation for 4-(diethylamino)-4-methyl-1-methylsulfonylpentan-3-ol?
The canonical SMILES for 4-(diethylamino)-4-methyl-1-methylsulfonylpentan-3-ol is CCN(CC)C(C)(C)C(O)CCS(C)(=O)=O.
What is the InChIKey of 4-(diethylamino)-4-methyl-1-methylsulfonylpentan-3-ol?
The InChIKey is TWWWQPYQCWFBSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO3S/c1-6-12(7-2)11(3,4)10(13)8-9-16(5,14)15/h10,13H,6-9H2,1-5H3.
What are the key properties of 4-(diethylamino)-4-methyl-1-methylsulfonylpentan-3-ol?
4-(diethylamino)-4-methyl-1-methylsulfonylpentan-3-ol has a molecular weight of 251.39 g/mol, XLogP of 0.90, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(diethylamino)-4-methyl-1-methylsulfonylpentan-3-ol is sourced from PubChem (CID 79053348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).