(1-bromo-5-tert-butylsulfonylpentyl)cyclopropane

C12H23BrO2S — CID 106732544

IUPAC(1-bromo-5-tert-butylsulfonylpentyl)cyclopropane
SMILESCC(C)(C)S(=O)(=O)CCCCC(Br)C1CC1
InChIInChI=1S/C12H23BrO2S/c1-12(2,3)16(14,15)9-5-4-6-11(13)10-7-8-10/h10-11H,4-9H2,1-3H3
InChIKeyGXMOFZMYULPBHN-UHFFFAOYSA-N
MW311.29 g/mol
LogP3.54
Rot. Bonds6

About (1-bromo-5-tert-butylsulfonylpentyl)cyclopropane

(1-bromo-5-tert-butylsulfonylpentyl)cyclopropane (PubChem CID 106732544) has the molecular formula C12H23BrO2S and a molecular weight of 311.29 g/mol. Its IUPAC name is (1-bromo-5-tert-butylsulfonylpentyl)cyclopropane.

Molecular Properties

Compound Name(1-bromo-5-tert-butylsulfonylpentyl)cyclopropane
PubChem CID106732544
Molecular FormulaC12H23BrO2S
Molecular Weight311.29 g/mol
Exact Mass310.06
IUPAC Name(1-bromo-5-tert-butylsulfonylpentyl)cyclopropane
SMILESCC(C)(C)S(=O)(=O)CCCCC(Br)C1CC1
InChIInChI=1S/C12H23BrO2S/c1-12(2,3)16(14,15)9-5-4-6-11(13)10-7-8-10/h10-11H,4-9H2,1-3H3
InChIKeyGXMOFZMYULPBHN-UHFFFAOYSA-N
XLogP3.54
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.29
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-tert-butylsulfonyl-1-cyclopropyl-N-methylbutan-1-amine
CID 106727298
1-bromotetradecylcyclopropane
CID 55193412
4-bromo-1-tert-butylsulfonylhexane
CID 106729129
(1-bromo-4-propylsulfonylbutyl)cyclopentane
CID 106729203
(1-bromo-5-methylhexyl)cyclopropane
CID 63472651
N-(2-tert-butylsulfonylethyl)-1-cyclopropylethanamine
CID 115677017
N-(3-tert-butylsulfonylpropyl)cyclopropanamine
CID 64645174
5-tert-butylsulfonylpentan-1-ol
CID 14965524
4-tert-butylsulfonyl-1-cyclopropylbutan-1-one
CID 106727074
(1-bromo-4-tert-butylsulfonylbutyl)benzene
CID 106729114
5-tert-butylsulfonyl-1-chloro-2-methylpentane
CID 106732552
(1-bromo-5-methylhex-5-enyl)cyclopropane
CID 79185001

Frequently Asked Questions

What is the IUPAC name of (1-bromo-5-tert-butylsulfonylpentyl)cyclopropane?
The IUPAC name of (1-bromo-5-tert-butylsulfonylpentyl)cyclopropane (CID 106732544) is (1-bromo-5-tert-butylsulfonylpentyl)cyclopropane.
What is the SMILES notation for (1-bromo-5-tert-butylsulfonylpentyl)cyclopropane?
The canonical SMILES for (1-bromo-5-tert-butylsulfonylpentyl)cyclopropane is CC(C)(C)S(=O)(=O)CCCCC(Br)C1CC1.
What is the InChIKey of (1-bromo-5-tert-butylsulfonylpentyl)cyclopropane?
The InChIKey is GXMOFZMYULPBHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23BrO2S/c1-12(2,3)16(14,15)9-5-4-6-11(13)10-7-8-10/h10-11H,4-9H2,1-3H3.
What are the key properties of (1-bromo-5-tert-butylsulfonylpentyl)cyclopropane?
(1-bromo-5-tert-butylsulfonylpentyl)cyclopropane has a molecular weight of 311.29 g/mol, XLogP of 3.54, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-bromo-5-tert-butylsulfonylpentyl)cyclopropane is sourced from PubChem (CID 106732544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).