1-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]cyclopropane-1-sulfonyl bromide

C9H15BrO4S — CID 89253259

IUPAC1-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]cyclopropane-1-sulfonyl bromide
SMILESCC1(C)OC[C@@H](CC2(S(=O)(=O)Br)CC2)O1
InChIInChI=1S/C9H15BrO4S/c1-8(2)13-6-7(14-8)5-9(3-4-9)15(10,11)12/h7H,3-6H2,1-2H3/t7-/m1/s1
InChIKeyBWAAEJVERMAMAY-SSDOTTSWSA-N
MW299.19 g/mol
LogP1.79
Rot. Bonds3

About 1-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]cyclopropane-1-sulfonyl bromide

1-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]cyclopropane-1-sulfonyl bromide (PubChem CID 89253259) has the molecular formula C9H15BrO4S and a molecular weight of 299.19 g/mol. Its IUPAC name is 1-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]cyclopropane-1-sulfonyl bromide.

Molecular Properties

Compound Name1-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]cyclopropane-1-sulfonyl bromide
PubChem CID89253259
Molecular FormulaC9H15BrO4S
Molecular Weight299.19 g/mol
Exact Mass297.99
IUPAC Name1-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]cyclopropane-1-sulfonyl bromide
SMILESCC1(C)OC[C@@H](CC2(S(=O)(=O)Br)CC2)O1
InChIInChI=1S/C9H15BrO4S/c1-8(2)13-6-7(14-8)5-9(3-4-9)15(10,11)12/h7H,3-6H2,1-2H3/t7-/m1/s1
InChIKeyBWAAEJVERMAMAY-SSDOTTSWSA-N
XLogP1.79
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.19
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]cyclopropane-1-sulfonic acid
CID 71616121
(4S)-4-[(1-benzylsulfonylcyclopropyl)methyl]-2,2-dimethyl-1,3-dioxolane
CID 157116282
(4S)-4-[(1-iodocyclopropyl)methyl]-2,2-dimethyl-1,3-dioxolane
CID 66849166
4-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2,2-dimethyl-1,3-dioxolane
CID 58862633
2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethanesulfonic acid
CID 87931343
1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]cyclopropane-1-sulfinic acid
CID 78010924
[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl 1-butylcyclopropane-1-sulfonate
CID 89253347
N-chloro-1-(2,2-dimethyl-1,3-dioxolan-4-yl)methanesulfonamide
CID 87571308
2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]ethyl methanesulfonate
CID 86615867
(4R)-2,2-dimethyl-4-propyl-1,3-dioxolane
CID 59344944
(2,2-dimethyl-1,3-dioxolan-4-yl)methanamine;hydrochloride
CID 21466688
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]thiohydroxylamine
CID 59058282

Frequently Asked Questions

What is the IUPAC name of 1-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]cyclopropane-1-sulfonyl bromide?
The IUPAC name of 1-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]cyclopropane-1-sulfonyl bromide (CID 89253259) is 1-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]cyclopropane-1-sulfonyl bromide.
What is the SMILES notation for 1-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]cyclopropane-1-sulfonyl bromide?
The canonical SMILES for 1-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]cyclopropane-1-sulfonyl bromide is CC1(C)OC[C@@H](CC2(S(=O)(=O)Br)CC2)O1.
What is the InChIKey of 1-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]cyclopropane-1-sulfonyl bromide?
The InChIKey is BWAAEJVERMAMAY-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H15BrO4S/c1-8(2)13-6-7(14-8)5-9(3-4-9)15(10,11)12/h7H,3-6H2,1-2H3/t7-/m1/s1.
What are the key properties of 1-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]cyclopropane-1-sulfonyl bromide?
1-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]cyclopropane-1-sulfonyl bromide has a molecular weight of 299.19 g/mol, XLogP of 1.79, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]cyclopropane-1-sulfonyl bromide is sourced from PubChem (CID 89253259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).