5-[2-(cyclohexanecarbonylamino)ethyl]thiophene-2-sulfonyl chloride

C13H18ClNO3S2 — CID 43098333

IUPAC5-[2-(cyclohexanecarbonylamino)ethyl]thiophene-2-sulfonyl chloride
SMILESO=C(NCCc1ccc(S(=O)(=O)Cl)s1)C1CCCCC1
InChIInChI=1S/C13H18ClNO3S2/c14-20(17,18)12-7-6-11(19-12)8-9-15-13(16)10-4-2-1-3-5-10/h6-7,10H,1-5,8-9H2,(H,15,16)
InChIKeyOMIPEIRMBIARAD-UHFFFAOYSA-N
MW335.88 g/mol
LogP2.91
Rot. Bonds5

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

5-[2-(cyclohexanecarbonylamino)ethyl]thiophene-2-sulfonyl chloride (PubChem CID 43098333) has the molecular formula C13H18ClNO3S2 and a molecular weight of 335.88 g/mol. Its IUPAC name is 5-[2-(cyclohexanecarbonylamino)ethyl]thiophene-2-sulfonyl chloride.

Molecular Properties

Compound Name5-[2-(cyclohexanecarbonylamino)ethyl]thiophene-2-sulfonyl chloride
PubChem CID43098333
Molecular FormulaC13H18ClNO3S2
Molecular Weight335.88 g/mol
Exact Mass335.04
IUPAC Name5-[2-(cyclohexanecarbonylamino)ethyl]thiophene-2-sulfonyl chloride
SMILESO=C(NCCc1ccc(S(=O)(=O)Cl)s1)C1CCCCC1
InChIInChI=1S/C13H18ClNO3S2/c14-20(17,18)12-7-6-11(19-12)8-9-15-13(16)10-4-2-1-3-5-10/h6-7,10H,1-5,8-9H2,(H,15,16)
InChIKeyOMIPEIRMBIARAD-UHFFFAOYSA-N
XLogP2.91
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.88
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[2-(cyclopropanecarbonylamino)ethyl]thiophene-2-sulfonyl chloride
CID 24689033
5-[(cyclooctanecarbonylamino)methyl]thiophene-2-sulfonyl chloride
CID 65019612
5-[2-(oxolane-2-carbonylamino)ethyl]thiophene-2-sulfonyl chloride
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5-[2-[3-(oxolan-2-yl)propanoylamino]ethyl]thiophene-2-sulfonyl chloride
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N-[2-(5-acetylthiophen-2-yl)ethyl]cyclobutanecarboxamide
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CID 80595560
5-[(oxane-2-carbonylamino)methyl]thiophene-2-sulfonyl chloride
CID 55047990
2-cyclohexyl-N-[2-(5-sulfamoylthiophen-2-yl)ethyl]acetamide
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5-[2-[(2-iodobenzoyl)amino]ethyl]thiophene-2-sulfonyl chloride
CID 43095043
5-[2-[(2-bromobenzoyl)amino]ethyl]thiophene-2-sulfonyl chloride
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N-[2-(1,3-thiazol-5-yl)ethyl]cyclohexanecarboxamide
CID 110717473
cis-(1S,2R)-2-[2-(5-chlorothiophen-2-yl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 106032549

Frequently Asked Questions

What is the IUPAC name of 5-[2-(cyclohexanecarbonylamino)ethyl]thiophene-2-sulfonyl chloride?
The IUPAC name of 5-[2-(cyclohexanecarbonylamino)ethyl]thiophene-2-sulfonyl chloride (CID 43098333) is 5-[2-(cyclohexanecarbonylamino)ethyl]thiophene-2-sulfonyl chloride.
What is the SMILES notation for 5-[2-(cyclohexanecarbonylamino)ethyl]thiophene-2-sulfonyl chloride?
The canonical SMILES for 5-[2-(cyclohexanecarbonylamino)ethyl]thiophene-2-sulfonyl chloride is O=C(NCCc1ccc(S(=O)(=O)Cl)s1)C1CCCCC1.
What is the InChIKey of 5-[2-(cyclohexanecarbonylamino)ethyl]thiophene-2-sulfonyl chloride?
The InChIKey is OMIPEIRMBIARAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO3S2/c14-20(17,18)12-7-6-11(19-12)8-9-15-13(16)10-4-2-1-3-5-10/h6-7,10H,1-5,8-9H2,(H,15,16).
What are the key properties of 5-[2-(cyclohexanecarbonylamino)ethyl]thiophene-2-sulfonyl chloride?
5-[2-(cyclohexanecarbonylamino)ethyl]thiophene-2-sulfonyl chloride has a molecular weight of 335.88 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(cyclohexanecarbonylamino)ethyl]thiophene-2-sulfonyl chloride is sourced from PubChem (CID 43098333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).