(1-propylsulfonylcyclopropyl)methanol

C7H14O3S — CID 117037466

IUPAC(1-propylsulfonylcyclopropyl)methanol
SMILESCCCS(=O)(=O)C1(CO)CC1
InChIInChI=1S/C7H14O3S/c1-2-5-11(9,10)7(6-8)3-4-7/h8H,2-6H2,1H3
InChIKeyHLRZUCGGODTRNB-UHFFFAOYSA-N
MW178.25 g/mol
LogP0.34
Rot. Bonds4

About (1-propylsulfonylcyclopropyl)methanol

(1-propylsulfonylcyclopropyl)methanol (PubChem CID 117037466) has the molecular formula C7H14O3S and a molecular weight of 178.25 g/mol. Its IUPAC name is (1-propylsulfonylcyclopropyl)methanol.

Molecular Properties

Compound Name(1-propylsulfonylcyclopropyl)methanol
PubChem CID117037466
Molecular FormulaC7H14O3S
Molecular Weight178.25 g/mol
Exact Mass178.07
IUPAC Name(1-propylsulfonylcyclopropyl)methanol
SMILESCCCS(=O)(=O)C1(CO)CC1
InChIInChI=1S/C7H14O3S/c1-2-5-11(9,10)7(6-8)3-4-7/h8H,2-6H2,1H3
InChIKeyHLRZUCGGODTRNB-UHFFFAOYSA-N
XLogP0.34
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.25
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-ethylsulfonylcyclopropyl)acetic acid
CID 115019032
[1-(4-ethylphenyl)sulfonylcyclopropyl]methanol
CID 117037448
(1-ethylsulfonylcyclopropyl)methanamine;hydrochloride
CID 122164381
1-(hydroxymethyl)-N-propan-2-ylcyclopropane-1-sulfonamide
CID 138583497
(1-thiophen-2-ylsulfonylcyclopropyl)methanol
CID 117037458
[1-(hydroxymethyl)cyclopropyl]sulfonylcarbamic acid
CID 89156337
hydrazine;propane-1-sulfonic acid
CID 159325511
1-ethyl-1-(1-ethylcyclopropyl)sulfonylcyclopropane
CID 160654099
[4-(2-propylsulfonylethyl)piperidin-4-yl]methanol
CID 106734295
(1-propan-2-ylsulfonylcyclobutyl)methanol
CID 117037527
4-amino-N-propylsulfonyloxane-4-carboxamide
CID 103307647
[1-(3-methylphenyl)sulfonylcyclopropyl]methanol
CID 115035637

Frequently Asked Questions

What is the IUPAC name of (1-propylsulfonylcyclopropyl)methanol?
The IUPAC name of (1-propylsulfonylcyclopropyl)methanol (CID 117037466) is (1-propylsulfonylcyclopropyl)methanol.
What is the SMILES notation for (1-propylsulfonylcyclopropyl)methanol?
The canonical SMILES for (1-propylsulfonylcyclopropyl)methanol is CCCS(=O)(=O)C1(CO)CC1.
What is the InChIKey of (1-propylsulfonylcyclopropyl)methanol?
The InChIKey is HLRZUCGGODTRNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O3S/c1-2-5-11(9,10)7(6-8)3-4-7/h8H,2-6H2,1H3.
What are the key properties of (1-propylsulfonylcyclopropyl)methanol?
(1-propylsulfonylcyclopropyl)methanol has a molecular weight of 178.25 g/mol, XLogP of 0.34, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-propylsulfonylcyclopropyl)methanol is sourced from PubChem (CID 117037466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).