5-[2-(2,2-dimethylpropanoylamino)ethyl]thiophene-2-sulfonyl chloride

C11H16ClNO3S2 — CID 24688786

IUPAC5-[2-(2,2-dimethylpropanoylamino)ethyl]thiophene-2-sulfonyl chloride
SMILESCC(C)(C)C(=O)NCCc1ccc(S(=O)(=O)Cl)s1
InChIInChI=1S/C11H16ClNO3S2/c1-11(2,3)10(14)13-7-6-8-4-5-9(17-8)18(12,15)16/h4-5H,6-7H2,1-3H3,(H,13,14)
InChIKeyCJBVZTQMDCRUJG-UHFFFAOYSA-N
MW309.84 g/mol
LogP2.38
Rot. Bonds4

About 5-[2-(2,2-dimethylpropanoylamino)ethyl]thiophene-2-sulfonyl chloride

5-[2-(2,2-dimethylpropanoylamino)ethyl]thiophene-2-sulfonyl chloride (PubChem CID 24688786) has the molecular formula C11H16ClNO3S2 and a molecular weight of 309.84 g/mol. Its IUPAC name is 5-[2-(2,2-dimethylpropanoylamino)ethyl]thiophene-2-sulfonyl chloride.

Molecular Properties

Compound Name5-[2-(2,2-dimethylpropanoylamino)ethyl]thiophene-2-sulfonyl chloride
PubChem CID24688786
Molecular FormulaC11H16ClNO3S2
Molecular Weight309.84 g/mol
Exact Mass309.03
IUPAC Name5-[2-(2,2-dimethylpropanoylamino)ethyl]thiophene-2-sulfonyl chloride
SMILESCC(C)(C)C(=O)NCCc1ccc(S(=O)(=O)Cl)s1
InChIInChI=1S/C11H16ClNO3S2/c1-11(2,3)10(14)13-7-6-8-4-5-9(17-8)18(12,15)16/h4-5H,6-7H2,1-3H3,(H,13,14)
InChIKeyCJBVZTQMDCRUJG-UHFFFAOYSA-N
XLogP2.38
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.84
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(2,2-dimethylpropanoylamino)ethyl]thiophene-2-sulfonyl chloride?
The IUPAC name of 5-[2-(2,2-dimethylpropanoylamino)ethyl]thiophene-2-sulfonyl chloride (CID 24688786) is 5-[2-(2,2-dimethylpropanoylamino)ethyl]thiophene-2-sulfonyl chloride.
What is the SMILES notation for 5-[2-(2,2-dimethylpropanoylamino)ethyl]thiophene-2-sulfonyl chloride?
The canonical SMILES for 5-[2-(2,2-dimethylpropanoylamino)ethyl]thiophene-2-sulfonyl chloride is CC(C)(C)C(=O)NCCc1ccc(S(=O)(=O)Cl)s1.
What is the InChIKey of 5-[2-(2,2-dimethylpropanoylamino)ethyl]thiophene-2-sulfonyl chloride?
The InChIKey is CJBVZTQMDCRUJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClNO3S2/c1-11(2,3)10(14)13-7-6-8-4-5-9(17-8)18(12,15)16/h4-5H,6-7H2,1-3H3,(H,13,14).
What are the key properties of 5-[2-(2,2-dimethylpropanoylamino)ethyl]thiophene-2-sulfonyl chloride?
5-[2-(2,2-dimethylpropanoylamino)ethyl]thiophene-2-sulfonyl chloride has a molecular weight of 309.84 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2,2-dimethylpropanoylamino)ethyl]thiophene-2-sulfonyl chloride is sourced from PubChem (CID 24688786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).