4-[[2-(aminomethyl)-3-pyridinyl]sulfonyl]piperazin-2-one

C10H14N4O3S — CID 106593628

IUPAC4-[[2-(aminomethyl)-3-pyridinyl]sulfonyl]piperazin-2-one
SMILESNCc1ncccc1S(=O)(=O)N1CCNC(=O)C1
InChIInChI=1S/C10H14N4O3S/c11-6-8-9(2-1-3-12-8)18(16,17)14-5-4-13-10(15)7-14/h1-3H,4-7,11H2,(H,13,15)
InChIKeyPDNWRGRIWZZJTO-UHFFFAOYSA-N
MW270.31 g/mol
LogP-1.34
Rot. Bonds3

About 4-[[2-(aminomethyl)-3-pyridinyl]sulfonyl]piperazin-2-one

4-[[2-(aminomethyl)-3-pyridinyl]sulfonyl]piperazin-2-one (PubChem CID 106593628) has the molecular formula C10H14N4O3S and a molecular weight of 270.31 g/mol. Its IUPAC name is 4-[[2-(aminomethyl)-3-pyridinyl]sulfonyl]piperazin-2-one.

Molecular Properties

Compound Name4-[[2-(aminomethyl)-3-pyridinyl]sulfonyl]piperazin-2-one
PubChem CID106593628
Molecular FormulaC10H14N4O3S
Molecular Weight270.31 g/mol
Exact Mass270.08
IUPAC Name4-[[2-(aminomethyl)-3-pyridinyl]sulfonyl]piperazin-2-one
SMILESNCc1ncccc1S(=O)(=O)N1CCNC(=O)C1
InChIInChI=1S/C10H14N4O3S/c11-6-8-9(2-1-3-12-8)18(16,17)14-5-4-13-10(15)7-14/h1-3H,4-7,11H2,(H,13,15)
InChIKeyPDNWRGRIWZZJTO-UHFFFAOYSA-N
XLogP-1.34
TPSA105.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.31
LogP ≤ 5-1.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[[2-(aminomethyl)-3-pyridinyl]sulfonyl]-1,4-diazepan-5-one
CID 106594478
(3-pyrrolidin-1-ylsulfonyl-2-pyridinyl)methanamine
CID 106593652
4-[[2-(methylamino)-3-pyridinyl]sulfonyl]piperazin-2-one
CID 62144746
4-[[2-(aminomethyl)-3-pyridinyl]sulfonyl]-3,3-dimethylpiperazine-2,6-dione
CID 106594670
1-[[2-(aminomethyl)-3-pyridinyl]sulfonyl]-3-methylpiperidin-4-ol
CID 106594973
2-[1-[[2-(aminomethyl)-3-pyridinyl]sulfonyl]pyrrolidin-3-yl]ethanol
CID 106594989
1-[4-[[2-(aminomethyl)-3-pyridinyl]sulfonyl]-1,4-diazepan-1-yl]ethanone
CID 106594245
1-[(2-chloro-3-pyridinyl)sulfonyl]-1,4-diazepan-5-one
CID 63004443
4-[(3-amino-2-pyridinyl)sulfonyl]-1,4-diazepan-2-one
CID 103306320
4-[(5-amino-1H-pyrazol-4-yl)sulfonyl]piperazin-2-one
CID 60814377
methyl 2-(3-oxopiperazin-1-yl)sulfonylbenzoate
CID 47103900
4-(4-aminophenyl)sulfonylpiperazin-2-one
CID 16783955

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(aminomethyl)-3-pyridinyl]sulfonyl]piperazin-2-one?
The IUPAC name of 4-[[2-(aminomethyl)-3-pyridinyl]sulfonyl]piperazin-2-one (CID 106593628) is 4-[[2-(aminomethyl)-3-pyridinyl]sulfonyl]piperazin-2-one.
What is the SMILES notation for 4-[[2-(aminomethyl)-3-pyridinyl]sulfonyl]piperazin-2-one?
The canonical SMILES for 4-[[2-(aminomethyl)-3-pyridinyl]sulfonyl]piperazin-2-one is NCc1ncccc1S(=O)(=O)N1CCNC(=O)C1.
What is the InChIKey of 4-[[2-(aminomethyl)-3-pyridinyl]sulfonyl]piperazin-2-one?
The InChIKey is PDNWRGRIWZZJTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O3S/c11-6-8-9(2-1-3-12-8)18(16,17)14-5-4-13-10(15)7-14/h1-3H,4-7,11H2,(H,13,15).
What are the key properties of 4-[[2-(aminomethyl)-3-pyridinyl]sulfonyl]piperazin-2-one?
4-[[2-(aminomethyl)-3-pyridinyl]sulfonyl]piperazin-2-one has a molecular weight of 270.31 g/mol, XLogP of -1.34, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(aminomethyl)-3-pyridinyl]sulfonyl]piperazin-2-one is sourced from PubChem (CID 106593628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).