trans-(1R,2R)-2-methylcyclopropane-1-sulfonyl chloride

C4H7ClO2S — CID 138987616

IUPACtrans-(1R,2R)-2-methylcyclopropane-1-sulfonyl chloride
SMILESC[C@@H]1C[C@H]1S(=O)(=O)Cl
InChIInChI=1S/C4H7ClO2S/c1-3-2-4(3)8(5,6)7/h3-4H,2H2,1H3/t3-,4-/m1/s1
InChIKeyIERGHMCVKWFZDY-QWWZWVQMSA-N
MW154.62 g/mol
LogP0.96
Rot. Bonds1

About trans-(1R,2R)-2-methylcyclopropane-1-sulfonyl chloride

trans-(1R,2R)-2-methylcyclopropane-1-sulfonyl chloride (PubChem CID 138987616) has the molecular formula C4H7ClO2S and a molecular weight of 154.62 g/mol. Its IUPAC name is trans-(1R,2R)-2-methylcyclopropane-1-sulfonyl chloride.

Molecular Properties

Compound Nametrans-(1R,2R)-2-methylcyclopropane-1-sulfonyl chloride
PubChem CID138987616
Molecular FormulaC4H7ClO2S
Molecular Weight154.62 g/mol
Exact Mass153.99
IUPAC Nametrans-(1R,2R)-2-methylcyclopropane-1-sulfonyl chloride
SMILESC[C@@H]1C[C@H]1S(=O)(=O)Cl
InChIInChI=1S/C4H7ClO2S/c1-3-2-4(3)8(5,6)7/h3-4H,2H2,1H3/t3-,4-/m1/s1
InChIKeyIERGHMCVKWFZDY-QWWZWVQMSA-N
XLogP0.96
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.62
LogP ≤ 50.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-Propanesulfonyl chloride, 2-methyl-
CID 182236
3-Methylbutane-1-sulfonyl chloride
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Cyclopropylmethanesulphonyl chloride
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2-Methylbutane-1-sulfonyl chloride
CID 20532502
3-Methylbutane-2-sulfonyl chloride
CID 21354490
2-Ethylcyclopropane-1-sulfonyl chloride
CID 55212029
(1-Methylcyclopropyl)methanesulfonyl chloride
CID 55262941
1-Methylcyclopropane-1-sulfonyl chloride
CID 55279326
2-Cyclopropylethane-1-sulfonyl chloride
CID 55279594
Cyclopropylmethanesulfonyl fluoride
CID 115011326
(1-Fluorocyclopropyl)methanesulfonyl chloride
CID 125424445
2,2-Dimethylcyclopropane-1-sulfonyl chloride
CID 137944046

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-methylcyclopropane-1-sulfonyl chloride?
The IUPAC name of trans-(1R,2R)-2-methylcyclopropane-1-sulfonyl chloride (CID 138987616) is trans-(1R,2R)-2-methylcyclopropane-1-sulfonyl chloride.
What is the SMILES notation for trans-(1R,2R)-2-methylcyclopropane-1-sulfonyl chloride?
The canonical SMILES for trans-(1R,2R)-2-methylcyclopropane-1-sulfonyl chloride is C[C@@H]1C[C@H]1S(=O)(=O)Cl.
What is the InChIKey of trans-(1R,2R)-2-methylcyclopropane-1-sulfonyl chloride?
The InChIKey is IERGHMCVKWFZDY-QWWZWVQMSA-N. The full InChI is InChI=1S/C4H7ClO2S/c1-3-2-4(3)8(5,6)7/h3-4H,2H2,1H3/t3-,4-/m1/s1.
What are the key properties of trans-(1R,2R)-2-methylcyclopropane-1-sulfonyl chloride?
trans-(1R,2R)-2-methylcyclopropane-1-sulfonyl chloride has a molecular weight of 154.62 g/mol, XLogP of 0.96, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-methylcyclopropane-1-sulfonyl chloride is sourced from PubChem (CID 138987616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).