3,3-bis(bromomethyl)-1-propylsulfonylpentane

C10H20Br2O2S — CID 106734917

IUPAC3,3-bis(bromomethyl)-1-propylsulfonylpentane
SMILESCCCS(=O)(=O)CCC(CC)(CBr)CBr
InChIInChI=1S/C10H20Br2O2S/c1-3-6-15(13,14)7-5-10(4-2,8-11)9-12/h3-9H2,1-2H3
InChIKeyPMFRFXMYXGJPFW-UHFFFAOYSA-N
MW364.14 g/mol
LogP3.39
Rot. Bonds8

About 3,3-bis(bromomethyl)-1-propylsulfonylpentane

3,3-bis(bromomethyl)-1-propylsulfonylpentane (PubChem CID 106734917) has the molecular formula C10H20Br2O2S and a molecular weight of 364.14 g/mol. Its IUPAC name is 3,3-bis(bromomethyl)-1-propylsulfonylpentane.

Molecular Properties

Compound Name3,3-bis(bromomethyl)-1-propylsulfonylpentane
PubChem CID106734917
Molecular FormulaC10H20Br2O2S
Molecular Weight364.14 g/mol
Exact Mass361.96
IUPAC Name3,3-bis(bromomethyl)-1-propylsulfonylpentane
SMILESCCCS(=O)(=O)CCC(CC)(CBr)CBr
InChIInChI=1S/C10H20Br2O2S/c1-3-6-15(13,14)7-5-10(4-2,8-11)9-12/h3-9H2,1-2H3
InChIKeyPMFRFXMYXGJPFW-UHFFFAOYSA-N
XLogP3.39
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.14
LogP ≤ 53.39
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

4-(bromomethyl)-4-ethyl-1-ethylsulfonyloctane
CID 66048272
3,3-bis(chloromethyl)-1-propylsulfonylhexane
CID 106734849
N-(2,2-diethyl-4-propylsulfonylbutyl)cyclopropanamine
CID 106729943
1-propylsulfonylpropane
CID 11709
3-(bromomethyl)-3-methyl-5-propylsulfonylpent-1-ene
CID 106734734
3-(bromomethyl)-1-ethylsulfonyl-3-methylpentane
CID 66049607
3,3-bis(bromomethyl)pentadecane
CID 79455553
3,3-bis(chloromethyl)-1-methylsulfonylpentane
CID 79447234
3,3-diethylpentane-1-sulfonamide
CID 154281864
2-(aminomethyl)-2-ethyl-4-propylsulfonylbutanoic acid
CID 106737054
2,2-diethyl-4-ethylsulfonyl-N-propan-2-ylbutan-1-amine
CID 62724247
N-ethyl-2,2-dimethyl-4-propylsulfonylbutan-1-amine
CID 106729808

Frequently Asked Questions

What is the IUPAC name of 3,3-bis(bromomethyl)-1-propylsulfonylpentane?
The IUPAC name of 3,3-bis(bromomethyl)-1-propylsulfonylpentane (CID 106734917) is 3,3-bis(bromomethyl)-1-propylsulfonylpentane.
What is the SMILES notation for 3,3-bis(bromomethyl)-1-propylsulfonylpentane?
The canonical SMILES for 3,3-bis(bromomethyl)-1-propylsulfonylpentane is CCCS(=O)(=O)CCC(CC)(CBr)CBr.
What is the InChIKey of 3,3-bis(bromomethyl)-1-propylsulfonylpentane?
The InChIKey is PMFRFXMYXGJPFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20Br2O2S/c1-3-6-15(13,14)7-5-10(4-2,8-11)9-12/h3-9H2,1-2H3.
What are the key properties of 3,3-bis(bromomethyl)-1-propylsulfonylpentane?
3,3-bis(bromomethyl)-1-propylsulfonylpentane has a molecular weight of 364.14 g/mol, XLogP of 3.39, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-bis(bromomethyl)-1-propylsulfonylpentane is sourced from PubChem (CID 106734917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).