5-[(oxane-2-carbonylamino)methyl]thiophene-2-sulfonyl chloride

C11H14ClNO4S2 — CID 55047990

IUPAC5-[(oxane-2-carbonylamino)methyl]thiophene-2-sulfonyl chloride
SMILESO=C(NCc1ccc(S(=O)(=O)Cl)s1)C1CCCCO1
InChIInChI=1S/C11H14ClNO4S2/c12-19(15,16)10-5-4-8(18-10)7-13-11(14)9-3-1-2-6-17-9/h4-5,9H,1-3,6-7H2,(H,13,14)
InChIKeyCVDGAXLRHMNDCV-UHFFFAOYSA-N
MW323.82 g/mol
LogP1.86
Rot. Bonds4

About 5-[(oxane-2-carbonylamino)methyl]thiophene-2-sulfonyl chloride

5-[(oxane-2-carbonylamino)methyl]thiophene-2-sulfonyl chloride (PubChem CID 55047990) has the molecular formula C11H14ClNO4S2 and a molecular weight of 323.82 g/mol. Its IUPAC name is 5-[(oxane-2-carbonylamino)methyl]thiophene-2-sulfonyl chloride.

Molecular Properties

Compound Name5-[(oxane-2-carbonylamino)methyl]thiophene-2-sulfonyl chloride
PubChem CID55047990
Molecular FormulaC11H14ClNO4S2
Molecular Weight323.82 g/mol
Exact Mass323.01
IUPAC Name5-[(oxane-2-carbonylamino)methyl]thiophene-2-sulfonyl chloride
SMILESO=C(NCc1ccc(S(=O)(=O)Cl)s1)C1CCCCO1
InChIInChI=1S/C11H14ClNO4S2/c12-19(15,16)10-5-4-8(18-10)7-13-11(14)9-3-1-2-6-17-9/h4-5,9H,1-3,6-7H2,(H,13,14)
InChIKeyCVDGAXLRHMNDCV-UHFFFAOYSA-N
XLogP1.86
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.82
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[2-(oxolane-2-carbonylamino)ethyl]thiophene-2-sulfonyl chloride
CID 43110787
5-[(1,4-dioxane-2-carbonylamino)methyl]thiophene-2-sulfonyl chloride
CID 62799225
5-[(cyclooctanecarbonylamino)methyl]thiophene-2-sulfonyl chloride
CID 65019612
4-[2-(oxane-2-carbonylamino)ethyl]benzenesulfonyl chloride
CID 62213685
5-[2-(cyclohexanecarbonylamino)ethyl]thiophene-2-sulfonyl chloride
CID 43098333
N-[[3-[(oxane-2-carbonylamino)methyl]phenyl]methyl]oxane-2-carboxamide
CID 127697163
5-[[(4-bromobenzoyl)amino]methyl]thiophene-2-sulfonyl chloride
CID 43363006
5-[[(4-fluorobenzoyl)amino]methyl]thiophene-2-sulfonyl chloride
CID 43363004
5-[2-(cyclopropanecarbonylamino)ethyl]thiophene-2-sulfonyl chloride
CID 24689033
5-[2-[3-(oxolan-2-yl)propanoylamino]ethyl]thiophene-2-sulfonyl chloride
CID 65157400
(2R)-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]oxane-2-carboxamide
CID 125158287
3-methyl-N-[(5-sulfamoylthiophen-2-yl)methyl]oxolane-2-carboxamide
CID 81425841

Frequently Asked Questions

What is the IUPAC name of 5-[(oxane-2-carbonylamino)methyl]thiophene-2-sulfonyl chloride?
The IUPAC name of 5-[(oxane-2-carbonylamino)methyl]thiophene-2-sulfonyl chloride (CID 55047990) is 5-[(oxane-2-carbonylamino)methyl]thiophene-2-sulfonyl chloride.
What is the SMILES notation for 5-[(oxane-2-carbonylamino)methyl]thiophene-2-sulfonyl chloride?
The canonical SMILES for 5-[(oxane-2-carbonylamino)methyl]thiophene-2-sulfonyl chloride is O=C(NCc1ccc(S(=O)(=O)Cl)s1)C1CCCCO1.
What is the InChIKey of 5-[(oxane-2-carbonylamino)methyl]thiophene-2-sulfonyl chloride?
The InChIKey is CVDGAXLRHMNDCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO4S2/c12-19(15,16)10-5-4-8(18-10)7-13-11(14)9-3-1-2-6-17-9/h4-5,9H,1-3,6-7H2,(H,13,14).
What are the key properties of 5-[(oxane-2-carbonylamino)methyl]thiophene-2-sulfonyl chloride?
5-[(oxane-2-carbonylamino)methyl]thiophene-2-sulfonyl chloride has a molecular weight of 323.82 g/mol, XLogP of 1.86, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(oxane-2-carbonylamino)methyl]thiophene-2-sulfonyl chloride is sourced from PubChem (CID 55047990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).