3-(2-methylpropylsulfonyl)propan-1-ol

C7H16O3S — CID 11126865

IUPAC3-(2-methylpropylsulfonyl)propan-1-ol
SMILESCC(C)CS(=O)(=O)CCCO
InChIInChI=1S/C7H16O3S/c1-7(2)6-11(9,10)5-3-4-8/h7-8H,3-6H2,1-2H3
InChIKeyLWZXGAXKLGNJTF-UHFFFAOYSA-N
MW180.27 g/mol
LogP0.44
Rot. Bonds5

About 3-(2-methylpropylsulfonyl)propan-1-ol

3-(2-methylpropylsulfonyl)propan-1-ol (PubChem CID 11126865) has the molecular formula C7H16O3S and a molecular weight of 180.27 g/mol. Its IUPAC name is 3-(2-methylpropylsulfonyl)propan-1-ol.

Molecular Properties

Compound Name3-(2-methylpropylsulfonyl)propan-1-ol
PubChem CID11126865
Molecular FormulaC7H16O3S
Molecular Weight180.27 g/mol
Exact Mass180.08
IUPAC Name3-(2-methylpropylsulfonyl)propan-1-ol
SMILESCC(C)CS(=O)(=O)CCCO
InChIInChI=1S/C7H16O3S/c1-7(2)6-11(9,10)5-3-4-8/h7-8H,3-6H2,1-2H3
InChIKeyLWZXGAXKLGNJTF-UHFFFAOYSA-N
XLogP0.44
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.27
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpropylsulfonyl)propan-1-ol?
The IUPAC name of 3-(2-methylpropylsulfonyl)propan-1-ol (CID 11126865) is 3-(2-methylpropylsulfonyl)propan-1-ol.
What is the SMILES notation for 3-(2-methylpropylsulfonyl)propan-1-ol?
The canonical SMILES for 3-(2-methylpropylsulfonyl)propan-1-ol is CC(C)CS(=O)(=O)CCCO.
What is the InChIKey of 3-(2-methylpropylsulfonyl)propan-1-ol?
The InChIKey is LWZXGAXKLGNJTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16O3S/c1-7(2)6-11(9,10)5-3-4-8/h7-8H,3-6H2,1-2H3.
What are the key properties of 3-(2-methylpropylsulfonyl)propan-1-ol?
3-(2-methylpropylsulfonyl)propan-1-ol has a molecular weight of 180.27 g/mol, XLogP of 0.44, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpropylsulfonyl)propan-1-ol is sourced from PubChem (CID 11126865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).