3-(benzenesulfonyl)-2-methylpropan-1-ol

C10H14O3S — CID 13480680

IUPAC3-(benzenesulfonyl)-2-methylpropan-1-ol
SMILESCC(CO)CS(=O)(=O)c1ccccc1
InChIInChI=1S/C10H14O3S/c1-9(7-11)8-14(12,13)10-5-3-2-4-6-10/h2-6,9,11H,7-8H2,1H3
InChIKeyPONBJQIZKOCLEY-UHFFFAOYSA-N
MW214.29 g/mol
LogP1.09
Rot. Bonds4

About 3-(benzenesulfonyl)-2-methylpropan-1-ol

3-(benzenesulfonyl)-2-methylpropan-1-ol (PubChem CID 13480680) has the molecular formula C10H14O3S and a molecular weight of 214.29 g/mol. Its IUPAC name is 3-(benzenesulfonyl)-2-methylpropan-1-ol.

Molecular Properties

Compound Name3-(benzenesulfonyl)-2-methylpropan-1-ol
PubChem CID13480680
Molecular FormulaC10H14O3S
Molecular Weight214.29 g/mol
Exact Mass214.07
IUPAC Name3-(benzenesulfonyl)-2-methylpropan-1-ol
SMILESCC(CO)CS(=O)(=O)c1ccccc1
InChIInChI=1S/C10H14O3S/c1-9(7-11)8-14(12,13)10-5-3-2-4-6-10/h2-6,9,11H,7-8H2,1H3
InChIKeyPONBJQIZKOCLEY-UHFFFAOYSA-N
XLogP1.09
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.29
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(benzenesulfonyl)-3-methylbutan-1-ol
CID 13358237
3-(benzenesulfonyl)-2-methylpropan-1-amine
CID 64698178
(2S)-1-(benzenesulfonyl)propan-2-ol
CID 11127286
4-(benzenesulfonyl)-3-methylbutan-1-amine
CID 115036309
1-(benzenesulfonyl)propan-2-amine
CID 62917209
1-(benzenesulfonyl)-3-(propan-2-ylamino)propan-2-ol
CID 113317915
[[(2S,4R)-5-(benzenesulfonyl)-2,4-dimethylpentoxy]-diphenylmethyl]benzene
CID 175678427
1-[1-(benzenesulfonyl)propan-2-yl]cyclopentan-1-ol
CID 18985953
[(2R)-2-propan-2-ylpentyl]sulfonylbenzene
CID 139881589
1-(benzenesulfonyl)-3-methoxypropan-2-ol
CID 107508907
ethane;2-methylpropylbenzene;2-methylpropylsulfonylbenzene
CID 160599750
2,2-diethoxyethylsulfonylbenzene
CID 11436831

Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonyl)-2-methylpropan-1-ol?
The IUPAC name of 3-(benzenesulfonyl)-2-methylpropan-1-ol (CID 13480680) is 3-(benzenesulfonyl)-2-methylpropan-1-ol.
What is the SMILES notation for 3-(benzenesulfonyl)-2-methylpropan-1-ol?
The canonical SMILES for 3-(benzenesulfonyl)-2-methylpropan-1-ol is CC(CO)CS(=O)(=O)c1ccccc1.
What is the InChIKey of 3-(benzenesulfonyl)-2-methylpropan-1-ol?
The InChIKey is PONBJQIZKOCLEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O3S/c1-9(7-11)8-14(12,13)10-5-3-2-4-6-10/h2-6,9,11H,7-8H2,1H3.
What are the key properties of 3-(benzenesulfonyl)-2-methylpropan-1-ol?
3-(benzenesulfonyl)-2-methylpropan-1-ol has a molecular weight of 214.29 g/mol, XLogP of 1.09, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonyl)-2-methylpropan-1-ol is sourced from PubChem (CID 13480680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).