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

C10H14N4O3S — CID 103306320

IUPAC4-[(3-amino-2-pyridinyl)sulfonyl]-1,4-diazepan-2-one
SMILESNc1cccnc1S(=O)(=O)N1CCCNC(=O)C1
InChIInChI=1S/C10H14N4O3S/c11-8-3-1-4-13-10(8)18(16,17)14-6-2-5-12-9(15)7-14/h1,3-4H,2,5-7,11H2,(H,12,15)
InChIKeyXUOPSEDKKACZSX-UHFFFAOYSA-N
MW270.31 g/mol
LogP-0.83
Rot. Bonds2

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

4-[(3-amino-2-pyridinyl)sulfonyl]-1,4-diazepan-2-one (PubChem CID 103306320) has the molecular formula C10H14N4O3S and a molecular weight of 270.31 g/mol. Its IUPAC name is 4-[(3-amino-2-pyridinyl)sulfonyl]-1,4-diazepan-2-one.

Molecular Properties

Compound Name4-[(3-amino-2-pyridinyl)sulfonyl]-1,4-diazepan-2-one
PubChem CID103306320
Molecular FormulaC10H14N4O3S
Molecular Weight270.31 g/mol
Exact Mass270.08
IUPAC Name4-[(3-amino-2-pyridinyl)sulfonyl]-1,4-diazepan-2-one
SMILESNc1cccnc1S(=O)(=O)N1CCCNC(=O)C1
InChIInChI=1S/C10H14N4O3S/c11-8-3-1-4-13-10(8)18(16,17)14-6-2-5-12-9(15)7-14/h1,3-4H,2,5-7,11H2,(H,12,15)
InChIKeyXUOPSEDKKACZSX-UHFFFAOYSA-N
XLogP-0.83
TPSA105.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.31
LogP ≤ 5-0.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1,2,4,5-tetrahydro-3-benzazepin-3-ylsulfonyl)pyridin-3-amine
CID 103306193
2-(3-azaspiro[5.5]undecan-3-ylsulfonyl)pyridin-3-amine
CID 103305842
4-(4-iodophenyl)sulfonyl-1,4-diazepan-2-one
CID 62898004
4-(2-amino-4,5-dimethylphenyl)sulfonyl-1,4-diazepan-2-one
CID 65361241
4-(5-aminoquinolin-8-yl)-1,4-diazepan-2-one
CID 65361499
4-(2-chloropyrimidin-5-yl)sulfonyl-1,4-diazepan-2-one
CID 65366121
4-thiophen-2-ylsulfonyl-1,4-diazepan-2-one
CID 62897265
2-[[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]sulfonyl]pyridin-3-amine
CID 103307983
4-[[2-(aminomethyl)-3-pyridinyl]sulfonyl]piperazin-2-one
CID 106593628
2-(3,4-dimethylpiperidin-1-yl)sulfonylpyridin-3-amine
CID 103307665
4-(5-aminoquinolin-6-yl)-1,4-diazepan-2-one
CID 65361303
4-(3-bromophenyl)sulfonyl-1,4-diazepan-2-one
CID 62896700

Frequently Asked Questions

What is the IUPAC name of 4-[(3-amino-2-pyridinyl)sulfonyl]-1,4-diazepan-2-one?
The IUPAC name of 4-[(3-amino-2-pyridinyl)sulfonyl]-1,4-diazepan-2-one (CID 103306320) is 4-[(3-amino-2-pyridinyl)sulfonyl]-1,4-diazepan-2-one.
What is the SMILES notation for 4-[(3-amino-2-pyridinyl)sulfonyl]-1,4-diazepan-2-one?
The canonical SMILES for 4-[(3-amino-2-pyridinyl)sulfonyl]-1,4-diazepan-2-one is Nc1cccnc1S(=O)(=O)N1CCCNC(=O)C1.
What is the InChIKey of 4-[(3-amino-2-pyridinyl)sulfonyl]-1,4-diazepan-2-one?
The InChIKey is XUOPSEDKKACZSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O3S/c11-8-3-1-4-13-10(8)18(16,17)14-6-2-5-12-9(15)7-14/h1,3-4H,2,5-7,11H2,(H,12,15).
What are the key properties of 4-[(3-amino-2-pyridinyl)sulfonyl]-1,4-diazepan-2-one?
4-[(3-amino-2-pyridinyl)sulfonyl]-1,4-diazepan-2-one has a molecular weight of 270.31 g/mol, XLogP of -0.83, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-amino-2-pyridinyl)sulfonyl]-1,4-diazepan-2-one is sourced from PubChem (CID 103306320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).