5-[1-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]ethyl]thiophene-2-sulfonyl chloride

C14H20ClNO3S2 — CID 66476853

IUPAC5-[1-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]ethyl]thiophene-2-sulfonyl chloride
SMILESCC(NC(=O)C1C(C)(C)C1(C)C)c1ccc(S(=O)(=O)Cl)s1
InChIInChI=1S/C14H20ClNO3S2/c1-8(9-6-7-10(20-9)21(15,18)19)16-12(17)11-13(2,3)14(11,4)5/h6-8,11H,1-5H3,(H,16,17)
InChIKeyXPIMKCYARSVQNY-UHFFFAOYSA-N
MW349.91 g/mol
LogP3.54
Rot. Bonds4

About 5-[1-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]ethyl]thiophene-2-sulfonyl chloride

5-[1-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]ethyl]thiophene-2-sulfonyl chloride (PubChem CID 66476853) has the molecular formula C14H20ClNO3S2 and a molecular weight of 349.91 g/mol. Its IUPAC name is 5-[1-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]ethyl]thiophene-2-sulfonyl chloride.

Molecular Properties

Compound Name5-[1-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]ethyl]thiophene-2-sulfonyl chloride
PubChem CID66476853
Molecular FormulaC14H20ClNO3S2
Molecular Weight349.91 g/mol
Exact Mass349.06
IUPAC Name5-[1-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]ethyl]thiophene-2-sulfonyl chloride
SMILESCC(NC(=O)C1C(C)(C)C1(C)C)c1ccc(S(=O)(=O)Cl)s1
InChIInChI=1S/C14H20ClNO3S2/c1-8(9-6-7-10(20-9)21(15,18)19)16-12(17)11-13(2,3)14(11,4)5/h6-8,11H,1-5H3,(H,16,17)
InChIKeyXPIMKCYARSVQNY-UHFFFAOYSA-N
XLogP3.54
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.91
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[1-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]ethyl]thiophene-2-sulfonyl chloride?
The IUPAC name of 5-[1-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]ethyl]thiophene-2-sulfonyl chloride (CID 66476853) is 5-[1-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]ethyl]thiophene-2-sulfonyl chloride.
What is the SMILES notation for 5-[1-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]ethyl]thiophene-2-sulfonyl chloride?
The canonical SMILES for 5-[1-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]ethyl]thiophene-2-sulfonyl chloride is CC(NC(=O)C1C(C)(C)C1(C)C)c1ccc(S(=O)(=O)Cl)s1.
What is the InChIKey of 5-[1-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]ethyl]thiophene-2-sulfonyl chloride?
The InChIKey is XPIMKCYARSVQNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO3S2/c1-8(9-6-7-10(20-9)21(15,18)19)16-12(17)11-13(2,3)14(11,4)5/h6-8,11H,1-5H3,(H,16,17).
What are the key properties of 5-[1-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]ethyl]thiophene-2-sulfonyl chloride?
5-[1-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]ethyl]thiophene-2-sulfonyl chloride has a molecular weight of 349.91 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]ethyl]thiophene-2-sulfonyl chloride is sourced from PubChem (CID 66476853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).