cyclopropylmethyl 2-(5-chlorosulfonylthiophen-2-yl)acetate

C10H11ClO4S2 — CID 65396177

IUPACcyclopropylmethyl 2-(5-chlorosulfonylthiophen-2-yl)acetate
SMILESO=C(Cc1ccc(S(=O)(=O)Cl)s1)OCC1CC1
InChIInChI=1S/C10H11ClO4S2/c11-17(13,14)10-4-3-8(16-10)5-9(12)15-6-7-1-2-7/h3-4,7H,1-2,5-6H2
InChIKeyPMCWQBKSWIMDJW-UHFFFAOYSA-N
MW294.78 g/mol
LogP2.17
Rot. Bonds5

About cyclopropylmethyl 2-(5-chlorosulfonylthiophen-2-yl)acetate

cyclopropylmethyl 2-(5-chlorosulfonylthiophen-2-yl)acetate (PubChem CID 65396177) has the molecular formula C10H11ClO4S2 and a molecular weight of 294.78 g/mol. Its IUPAC name is cyclopropylmethyl 2-(5-chlorosulfonylthiophen-2-yl)acetate.

Molecular Properties

Compound Namecyclopropylmethyl 2-(5-chlorosulfonylthiophen-2-yl)acetate
PubChem CID65396177
Molecular FormulaC10H11ClO4S2
Molecular Weight294.78 g/mol
Exact Mass293.98
IUPAC Namecyclopropylmethyl 2-(5-chlorosulfonylthiophen-2-yl)acetate
SMILESO=C(Cc1ccc(S(=O)(=O)Cl)s1)OCC1CC1
InChIInChI=1S/C10H11ClO4S2/c11-17(13,14)10-4-3-8(16-10)5-9(12)15-6-7-1-2-7/h3-4,7H,1-2,5-6H2
InChIKeyPMCWQBKSWIMDJW-UHFFFAOYSA-N
XLogP2.17
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.78
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

cyclobutyl 2-(5-chlorosulfonylthiophen-2-yl)acetate
CID 65373367
propyl 2-(5-chlorosulfonylthiophen-2-yl)acetate
CID 65395765
oxolan-3-ylmethyl 2-(5-sulfamoylthiophen-2-yl)acetate
CID 61235023
2-propoxyethyl 2-(5-chlorosulfonylthiophen-2-yl)acetate
CID 65375313
(3-ethylcyclohexyl) 2-(5-chlorosulfonylthiophen-2-yl)acetate
CID 65375705
2-(2-methylpropoxy)ethyl 2-(5-chlorosulfonylthiophen-2-yl)acetate
CID 106450858
(2-ethylcyclohexyl) 2-(5-chlorosulfonylthiophen-2-yl)acetate
CID 65397741
5-[2-(3,4-dimethoxypyrrolidin-1-yl)-2-oxoethyl]thiophene-2-sulfonyl chloride
CID 103540932
5-[2-(3-methoxy-4-methylpiperidin-1-yl)-2-oxoethyl]thiophene-2-sulfonyl chloride
CID 102970887
methyl 2-(5-sulfamoylthiophen-2-yl)acetate
CID 60753569
5-[2-(cyclopropanecarbonylamino)ethyl]thiophene-2-sulfonyl chloride
CID 24689033
5-[(cyclooctanecarbonylamino)methyl]thiophene-2-sulfonyl chloride
CID 65019612

Frequently Asked Questions

What is the IUPAC name of cyclopropylmethyl 2-(5-chlorosulfonylthiophen-2-yl)acetate?
The IUPAC name of cyclopropylmethyl 2-(5-chlorosulfonylthiophen-2-yl)acetate (CID 65396177) is cyclopropylmethyl 2-(5-chlorosulfonylthiophen-2-yl)acetate.
What is the SMILES notation for cyclopropylmethyl 2-(5-chlorosulfonylthiophen-2-yl)acetate?
The canonical SMILES for cyclopropylmethyl 2-(5-chlorosulfonylthiophen-2-yl)acetate is O=C(Cc1ccc(S(=O)(=O)Cl)s1)OCC1CC1.
What is the InChIKey of cyclopropylmethyl 2-(5-chlorosulfonylthiophen-2-yl)acetate?
The InChIKey is PMCWQBKSWIMDJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClO4S2/c11-17(13,14)10-4-3-8(16-10)5-9(12)15-6-7-1-2-7/h3-4,7H,1-2,5-6H2.
What are the key properties of cyclopropylmethyl 2-(5-chlorosulfonylthiophen-2-yl)acetate?
cyclopropylmethyl 2-(5-chlorosulfonylthiophen-2-yl)acetate has a molecular weight of 294.78 g/mol, XLogP of 2.17, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropylmethyl 2-(5-chlorosulfonylthiophen-2-yl)acetate is sourced from PubChem (CID 65396177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).