5-[(1,4-dioxane-2-carbonylamino)methyl]thiophene-2-sulfonyl chloride

C10H12ClNO5S2 — CID 62799225

IUPAC5-[(1,4-dioxane-2-carbonylamino)methyl]thiophene-2-sulfonyl chloride
SMILESO=C(NCc1ccc(S(=O)(=O)Cl)s1)C1COCCO1
InChIInChI=1S/C10H12ClNO5S2/c11-19(14,15)9-2-1-7(18-9)5-12-10(13)8-6-16-3-4-17-8/h1-2,8H,3-6H2,(H,12,13)
InChIKeyLNTMXPOVKICFPA-UHFFFAOYSA-N
MW325.80 g/mol
LogP0.71
Rot. Bonds4

About 5-[(1,4-dioxane-2-carbonylamino)methyl]thiophene-2-sulfonyl chloride

5-[(1,4-dioxane-2-carbonylamino)methyl]thiophene-2-sulfonyl chloride (PubChem CID 62799225) has the molecular formula C10H12ClNO5S2 and a molecular weight of 325.80 g/mol. Its IUPAC name is 5-[(1,4-dioxane-2-carbonylamino)methyl]thiophene-2-sulfonyl chloride.

Molecular Properties

Compound Name5-[(1,4-dioxane-2-carbonylamino)methyl]thiophene-2-sulfonyl chloride
PubChem CID62799225
Molecular FormulaC10H12ClNO5S2
Molecular Weight325.80 g/mol
Exact Mass324.98
IUPAC Name5-[(1,4-dioxane-2-carbonylamino)methyl]thiophene-2-sulfonyl chloride
SMILESO=C(NCc1ccc(S(=O)(=O)Cl)s1)C1COCCO1
InChIInChI=1S/C10H12ClNO5S2/c11-19(14,15)9-2-1-7(18-9)5-12-10(13)8-6-16-3-4-17-8/h1-2,8H,3-6H2,(H,12,13)
InChIKeyLNTMXPOVKICFPA-UHFFFAOYSA-N
XLogP0.71
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.80
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-[(oxane-2-carbonylamino)methyl]thiophene-2-sulfonyl chloride
CID 55047990
(2S)-N-[(5-methylthiophen-2-yl)methyl]-1,4-dioxane-2-carboxamide
CID 94200175
5-[(cyclooctanecarbonylamino)methyl]thiophene-2-sulfonyl chloride
CID 65019612
5-[2-(oxolane-2-carbonylamino)ethyl]thiophene-2-sulfonyl chloride
CID 43110787
(2R)-N-(pyridin-4-ylmethyl)-1,4-dioxane-2-carboxamide
CID 94180635
5-[[(4-bromobenzoyl)amino]methyl]thiophene-2-sulfonyl chloride
CID 43363006
5-[[(4-fluorobenzoyl)amino]methyl]thiophene-2-sulfonyl chloride
CID 43363004
5-[(4-methylpentanoylamino)methyl]thiophene-2-sulfonyl chloride
CID 43173395
5-[2-(cyclopropanecarbonylamino)ethyl]thiophene-2-sulfonyl chloride
CID 24689033
N-[[3-(aminomethyl)phenyl]methyl]-1,4-dioxane-2-carboxamide
CID 62797794
N-[[2-[(dimethylamino)methyl]phenyl]methyl]-1,4-dioxane-2-carboxamide
CID 75461042
(2S)-N-[[2-[(dimethylamino)methyl]phenyl]methyl]-1,4-dioxane-2-carboxamide
CID 94160517

Frequently Asked Questions

What is the IUPAC name of 5-[(1,4-dioxane-2-carbonylamino)methyl]thiophene-2-sulfonyl chloride?
The IUPAC name of 5-[(1,4-dioxane-2-carbonylamino)methyl]thiophene-2-sulfonyl chloride (CID 62799225) is 5-[(1,4-dioxane-2-carbonylamino)methyl]thiophene-2-sulfonyl chloride.
What is the SMILES notation for 5-[(1,4-dioxane-2-carbonylamino)methyl]thiophene-2-sulfonyl chloride?
The canonical SMILES for 5-[(1,4-dioxane-2-carbonylamino)methyl]thiophene-2-sulfonyl chloride is O=C(NCc1ccc(S(=O)(=O)Cl)s1)C1COCCO1.
What is the InChIKey of 5-[(1,4-dioxane-2-carbonylamino)methyl]thiophene-2-sulfonyl chloride?
The InChIKey is LNTMXPOVKICFPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNO5S2/c11-19(14,15)9-2-1-7(18-9)5-12-10(13)8-6-16-3-4-17-8/h1-2,8H,3-6H2,(H,12,13).
What are the key properties of 5-[(1,4-dioxane-2-carbonylamino)methyl]thiophene-2-sulfonyl chloride?
5-[(1,4-dioxane-2-carbonylamino)methyl]thiophene-2-sulfonyl chloride has a molecular weight of 325.80 g/mol, XLogP of 0.71, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1,4-dioxane-2-carbonylamino)methyl]thiophene-2-sulfonyl chloride is sourced from PubChem (CID 62799225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).