4-[[6-(methylamino)-3-pyridinyl]sulfonyl]-1,4-diazepan-2-one

C11H16N4O3S — CID 65363865

IUPAC4-[[6-(methylamino)-3-pyridinyl]sulfonyl]-1,4-diazepan-2-one
SMILESCNc1ccc(S(=O)(=O)N2CCCNC(=O)C2)cn1
InChIInChI=1S/C11H16N4O3S/c1-12-10-4-3-9(7-14-10)19(17,18)15-6-2-5-13-11(16)8-15/h3-4,7H,2,5-6,8H2,1H3,(H,12,14)(H,13,16)
InChIKeyGZGFRDGVERQXFA-UHFFFAOYSA-N
MW284.34 g/mol
LogP-0.37
Rot. Bonds3

About 4-[[6-(methylamino)-3-pyridinyl]sulfonyl]-1,4-diazepan-2-one

4-[[6-(methylamino)-3-pyridinyl]sulfonyl]-1,4-diazepan-2-one (PubChem CID 65363865) has the molecular formula C11H16N4O3S and a molecular weight of 284.34 g/mol. Its IUPAC name is 4-[[6-(methylamino)-3-pyridinyl]sulfonyl]-1,4-diazepan-2-one.

Molecular Properties

Compound Name4-[[6-(methylamino)-3-pyridinyl]sulfonyl]-1,4-diazepan-2-one
PubChem CID65363865
Molecular FormulaC11H16N4O3S
Molecular Weight284.34 g/mol
Exact Mass284.09
IUPAC Name4-[[6-(methylamino)-3-pyridinyl]sulfonyl]-1,4-diazepan-2-one
SMILESCNc1ccc(S(=O)(=O)N2CCCNC(=O)C2)cn1
InChIInChI=1S/C11H16N4O3S/c1-12-10-4-3-9(7-14-10)19(17,18)15-6-2-5-13-11(16)8-15/h3-4,7H,2,5-6,8H2,1H3,(H,12,14)(H,13,16)
InChIKeyGZGFRDGVERQXFA-UHFFFAOYSA-N
XLogP-0.37
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 5-0.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2-chloropyrimidin-5-yl)sulfonyl-1,4-diazepan-2-one
CID 65366121
N-methyl-5-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylsulfonyl)pyridin-2-amine
CID 66369934
4-(4-iodophenyl)sulfonyl-1,4-diazepan-2-one
CID 62898004
4-(1-methylpyrazol-4-yl)sulfonyl-1,4-diazepan-2-one
CID 62898950
N-methyl-5-[(1-oxo-1,4-thiazinan-4-yl)sulfonyl]pyridin-2-amine
CID 62157663
4-[4-(methylamino)phenyl]sulfonylpiperazin-2-one
CID 43154652
5-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylsulfonyl)-N-methylpyridin-2-amine
CID 64575679
N-methyl-5-(3-methylpyrrolidin-1-yl)sulfonylpyridin-2-amine
CID 62146923
4-(4-bromo-3-fluorophenyl)sulfonyl-1,4-diazepan-2-one
CID 103697549
N-propan-2-yl-5-pyrrolidin-1-ylsulfonylpyridin-2-amine
CID 5268153
4-[(6-hydrazinyl-3-pyridinyl)sulfonyl]piperazine-2,6-dione
CID 66063379
5-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-ylsulfonyl)-N-methylpyridin-2-amine
CID 65324662

Frequently Asked Questions

What is the IUPAC name of 4-[[6-(methylamino)-3-pyridinyl]sulfonyl]-1,4-diazepan-2-one?
The IUPAC name of 4-[[6-(methylamino)-3-pyridinyl]sulfonyl]-1,4-diazepan-2-one (CID 65363865) is 4-[[6-(methylamino)-3-pyridinyl]sulfonyl]-1,4-diazepan-2-one.
What is the SMILES notation for 4-[[6-(methylamino)-3-pyridinyl]sulfonyl]-1,4-diazepan-2-one?
The canonical SMILES for 4-[[6-(methylamino)-3-pyridinyl]sulfonyl]-1,4-diazepan-2-one is CNc1ccc(S(=O)(=O)N2CCCNC(=O)C2)cn1.
What is the InChIKey of 4-[[6-(methylamino)-3-pyridinyl]sulfonyl]-1,4-diazepan-2-one?
The InChIKey is GZGFRDGVERQXFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O3S/c1-12-10-4-3-9(7-14-10)19(17,18)15-6-2-5-13-11(16)8-15/h3-4,7H,2,5-6,8H2,1H3,(H,12,14)(H,13,16).
What are the key properties of 4-[[6-(methylamino)-3-pyridinyl]sulfonyl]-1,4-diazepan-2-one?
4-[[6-(methylamino)-3-pyridinyl]sulfonyl]-1,4-diazepan-2-one has a molecular weight of 284.34 g/mol, XLogP of -0.37, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[6-(methylamino)-3-pyridinyl]sulfonyl]-1,4-diazepan-2-one is sourced from PubChem (CID 65363865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).