2-(butylsulfonylmethyl)-1,1-dichlorocyclopropane

C8H14Cl2O2S — CID 4560113

IUPAC2-(butylsulfonylmethyl)-1,1-dichlorocyclopropane
SMILESCCCCS(=O)(=O)CC1CC1(Cl)Cl
InChIInChI=1S/C8H14Cl2O2S/c1-2-3-4-13(11,12)6-7-5-8(7,9)10/h7H,2-6H2,1H3
InChIKeyTXNREMHVOLYCPS-UHFFFAOYSA-N
MW245.17 g/mol
LogP2.40
Rot. Bonds5

About 2-(butylsulfonylmethyl)-1,1-dichlorocyclopropane

2-(butylsulfonylmethyl)-1,1-dichlorocyclopropane (PubChem CID 4560113) has the molecular formula C8H14Cl2O2S and a molecular weight of 245.17 g/mol. Its IUPAC name is 2-(butylsulfonylmethyl)-1,1-dichlorocyclopropane.

Molecular Properties

Compound Name2-(butylsulfonylmethyl)-1,1-dichlorocyclopropane
PubChem CID4560113
Molecular FormulaC8H14Cl2O2S
Molecular Weight245.17 g/mol
Exact Mass244.01
IUPAC Name2-(butylsulfonylmethyl)-1,1-dichlorocyclopropane
SMILESCCCCS(=O)(=O)CC1CC1(Cl)Cl
InChIInChI=1S/C8H14Cl2O2S/c1-2-3-4-13(11,12)6-7-5-8(7,9)10/h7H,2-6H2,1H3
InChIKeyTXNREMHVOLYCPS-UHFFFAOYSA-N
XLogP2.40
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.17
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

(2R)-1,1-dichloro-2-[[(1S)-2,2-dichlorocyclopropyl]methylsulfonylmethyl]cyclopropane
CID 6936312
1,1-dichloro-2-[(2,2-dichlorocyclopropyl)methylsulfonylmethylsulfonylmethyl]cyclopropane
CID 21231341
1,1-dichloro-2-octylcyclopropane
CID 10799099
calcium;1-butylsulfonylbutane;dichloride
CID 174621632
(2R,5R)-2,5-bis(octylsulfonylmethyl)-1,4-dioxane
CID 98082915
N-[(2,2-dichlorocyclopropyl)methyl]butan-1-amine
CID 60669420
3-(butylsulfonylmethyl)piperidine
CID 82182109
4-(hexylsulfonylmethyl)cyclohexan-1-amine
CID 164606874
1-octylsulfonylnonane
CID 19089492
1-ethylsulfonylheptane
CID 19089519
1-(chloromethylsulfonyl)pentane
CID 87296417
3-butylsulfonylpropan-1-amine
CID 43615632

Frequently Asked Questions

What is the IUPAC name of 2-(butylsulfonylmethyl)-1,1-dichlorocyclopropane?
The IUPAC name of 2-(butylsulfonylmethyl)-1,1-dichlorocyclopropane (CID 4560113) is 2-(butylsulfonylmethyl)-1,1-dichlorocyclopropane.
What is the SMILES notation for 2-(butylsulfonylmethyl)-1,1-dichlorocyclopropane?
The canonical SMILES for 2-(butylsulfonylmethyl)-1,1-dichlorocyclopropane is CCCCS(=O)(=O)CC1CC1(Cl)Cl.
What is the InChIKey of 2-(butylsulfonylmethyl)-1,1-dichlorocyclopropane?
The InChIKey is TXNREMHVOLYCPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14Cl2O2S/c1-2-3-4-13(11,12)6-7-5-8(7,9)10/h7H,2-6H2,1H3.
What are the key properties of 2-(butylsulfonylmethyl)-1,1-dichlorocyclopropane?
2-(butylsulfonylmethyl)-1,1-dichlorocyclopropane has a molecular weight of 245.17 g/mol, XLogP of 2.40, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(butylsulfonylmethyl)-1,1-dichlorocyclopropane is sourced from PubChem (CID 4560113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).