1-cyclopropyl-4-propylsulfonylbutan-1-ol

C10H20O3S — CID 106729033

IUPAC1-cyclopropyl-4-propylsulfonylbutan-1-ol
SMILESCCCS(=O)(=O)CCCC(O)C1CC1
InChIInChI=1S/C10H20O3S/c1-2-7-14(12,13)8-3-4-10(11)9-5-6-9/h9-11H,2-8H2,1H3
InChIKeyDJTRUBZGBDATSK-UHFFFAOYSA-N
MW220.33 g/mol
LogP1.36
Rot. Bonds7

About 1-cyclopropyl-4-propylsulfonylbutan-1-ol

1-cyclopropyl-4-propylsulfonylbutan-1-ol (PubChem CID 106729033) has the molecular formula C10H20O3S and a molecular weight of 220.33 g/mol. Its IUPAC name is 1-cyclopropyl-4-propylsulfonylbutan-1-ol.

Molecular Properties

Compound Name1-cyclopropyl-4-propylsulfonylbutan-1-ol
PubChem CID106729033
Molecular FormulaC10H20O3S
Molecular Weight220.33 g/mol
Exact Mass220.11
IUPAC Name1-cyclopropyl-4-propylsulfonylbutan-1-ol
SMILESCCCS(=O)(=O)CCCC(O)C1CC1
InChIInChI=1S/C10H20O3S/c1-2-7-14(12,13)8-3-4-10(11)9-5-6-9/h9-11H,2-8H2,1H3
InChIKeyDJTRUBZGBDATSK-UHFFFAOYSA-N
XLogP1.36
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.33
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cycloheptyl-4-ethylsulfonylbutan-1-ol
CID 65399225
1-(4-butylcyclohexyl)-4-ethylsulfonylbutan-1-ol
CID 115803759
4-ethylsulfonyl-1-piperidin-4-ylbutan-1-ol
CID 80560105
1-cyclopropylpentan-1-ol
CID 551238
1-(4-ethylcyclohexyl)-4-methylsulfonylbutan-1-ol
CID 65392483
1-cyclopropyl-5-ethylsulfonylpentane-1,2-diol
CID 103456805
(1-bromo-4-propylsulfonylbutyl)cyclopentane
CID 106729203
1-cyclopropyltetradecan-1-ol
CID 63461268
1-cyclopropylheptan-1-ol
CID 10909821
1-cyclopropyltridecan-1-ol
CID 63410999
1-(3-methylcyclopentyl)-4-methylsulfonylbutan-1-ol
CID 65401759
1-(2,3-dihydro-1H-inden-2-yl)-4-ethylsulfonylbutan-1-ol
CID 65410771

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-4-propylsulfonylbutan-1-ol?
The IUPAC name of 1-cyclopropyl-4-propylsulfonylbutan-1-ol (CID 106729033) is 1-cyclopropyl-4-propylsulfonylbutan-1-ol.
What is the SMILES notation for 1-cyclopropyl-4-propylsulfonylbutan-1-ol?
The canonical SMILES for 1-cyclopropyl-4-propylsulfonylbutan-1-ol is CCCS(=O)(=O)CCCC(O)C1CC1.
What is the InChIKey of 1-cyclopropyl-4-propylsulfonylbutan-1-ol?
The InChIKey is DJTRUBZGBDATSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O3S/c1-2-7-14(12,13)8-3-4-10(11)9-5-6-9/h9-11H,2-8H2,1H3.
What are the key properties of 1-cyclopropyl-4-propylsulfonylbutan-1-ol?
1-cyclopropyl-4-propylsulfonylbutan-1-ol has a molecular weight of 220.33 g/mol, XLogP of 1.36, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-4-propylsulfonylbutan-1-ol is sourced from PubChem (CID 106729033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).