4-[(4-amino-3-pyridinyl)sulfonyl]-1-methyl-1,4-diazepan-2-one

C11H16N4O3S — CID 102892173

IUPAC4-[(4-amino-3-pyridinyl)sulfonyl]-1-methyl-1,4-diazepan-2-one
SMILESCN1CCCN(S(=O)(=O)c2cnccc2N)CC1=O
InChIInChI=1S/C11H16N4O3S/c1-14-5-2-6-15(8-11(14)16)19(17,18)10-7-13-4-3-9(10)12/h3-4,7H,2,5-6,8H2,1H3,(H2,12,13)
InChIKeyDXHUGPKJBGIHHW-UHFFFAOYSA-N
MW284.34 g/mol
LogP-0.48
Rot. Bonds2

About 4-[(4-amino-3-pyridinyl)sulfonyl]-1-methyl-1,4-diazepan-2-one

4-[(4-amino-3-pyridinyl)sulfonyl]-1-methyl-1,4-diazepan-2-one (PubChem CID 102892173) has the molecular formula C11H16N4O3S and a molecular weight of 284.34 g/mol. Its IUPAC name is 4-[(4-amino-3-pyridinyl)sulfonyl]-1-methyl-1,4-diazepan-2-one.

Molecular Properties

Compound Name4-[(4-amino-3-pyridinyl)sulfonyl]-1-methyl-1,4-diazepan-2-one
PubChem CID102892173
Molecular FormulaC11H16N4O3S
Molecular Weight284.34 g/mol
Exact Mass284.09
IUPAC Name4-[(4-amino-3-pyridinyl)sulfonyl]-1-methyl-1,4-diazepan-2-one
SMILESCN1CCCN(S(=O)(=O)c2cnccc2N)CC1=O
InChIInChI=1S/C11H16N4O3S/c1-14-5-2-6-15(8-11(14)16)19(17,18)10-7-13-4-3-9(10)12/h3-4,7H,2,5-6,8H2,1H3,(H2,12,13)
InChIKeyDXHUGPKJBGIHHW-UHFFFAOYSA-N
XLogP-0.48
TPSA96.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 5-0.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-methyl-4-[[4-(methylamino)-3-pyridinyl]sulfonyl]-1,4-diazepan-2-one
CID 102892159
1-methyl-4-[[4-(methylamino)-3-pyridinyl]sulfonyl]piperazin-2-one
CID 64694981
4-(3-amino-2,4-difluorophenyl)sulfonyl-1-methyl-1,4-diazepan-2-one
CID 107343955
3-(2,2,6,6-tetramethylmorpholin-4-yl)sulfonylpyridin-4-amine
CID 102745571
4-(2-bromo-4-methylphenyl)sulfonyl-1-methyl-1,4-diazepan-2-one
CID 102847434
3-[(2S,6R)-2,6-dimethylpiperidin-1-yl]sulfonylpyridin-4-amine
CID 104968731
3-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-ylsulfonyl)pyridin-4-amine
CID 65324950
4-[5-(aminomethyl)-2-methylphenyl]sulfonyl-1-methyl-1,4-diazepan-2-one
CID 102888753
3-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylsulfonyl)pyridin-4-amine
CID 66369552
4-[(2-aminophenyl)methylsulfonyl]-1-methyl-1,4-diazepan-2-one
CID 102888192
4-(2-amino-4-pyridinyl)-1-methyl-1,4-diazepan-2-one
CID 102887615
4-(3-amino-2,5-dimethylphenyl)sulfonyl-1-methylpiperazin-2-one
CID 79889502

Frequently Asked Questions

What is the IUPAC name of 4-[(4-amino-3-pyridinyl)sulfonyl]-1-methyl-1,4-diazepan-2-one?
The IUPAC name of 4-[(4-amino-3-pyridinyl)sulfonyl]-1-methyl-1,4-diazepan-2-one (CID 102892173) is 4-[(4-amino-3-pyridinyl)sulfonyl]-1-methyl-1,4-diazepan-2-one.
What is the SMILES notation for 4-[(4-amino-3-pyridinyl)sulfonyl]-1-methyl-1,4-diazepan-2-one?
The canonical SMILES for 4-[(4-amino-3-pyridinyl)sulfonyl]-1-methyl-1,4-diazepan-2-one is CN1CCCN(S(=O)(=O)c2cnccc2N)CC1=O.
What is the InChIKey of 4-[(4-amino-3-pyridinyl)sulfonyl]-1-methyl-1,4-diazepan-2-one?
The InChIKey is DXHUGPKJBGIHHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O3S/c1-14-5-2-6-15(8-11(14)16)19(17,18)10-7-13-4-3-9(10)12/h3-4,7H,2,5-6,8H2,1H3,(H2,12,13).
What are the key properties of 4-[(4-amino-3-pyridinyl)sulfonyl]-1-methyl-1,4-diazepan-2-one?
4-[(4-amino-3-pyridinyl)sulfonyl]-1-methyl-1,4-diazepan-2-one has a molecular weight of 284.34 g/mol, XLogP of -0.48, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-amino-3-pyridinyl)sulfonyl]-1-methyl-1,4-diazepan-2-one is sourced from PubChem (CID 102892173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).