6-[[(3R)-1-(benzenesulfonyl)piperidin-3-yl]methyl]pyridazin-3-amine

C16H20N4O2S — CID 95847201

IUPAC6-[[(3R)-1-(benzenesulfonyl)piperidin-3-yl]methyl]pyridazin-3-amine
SMILESNc1ccc(C[C@H]2CCCN(S(=O)(=O)c3ccccc3)C2)nn1
InChIInChI=1S/C16H20N4O2S/c17-16-9-8-14(18-19-16)11-13-5-4-10-20(12-13)23(21,22)15-6-2-1-3-7-15/h1-3,6-9,13H,4-5,10-12H2,(H2,17,19)/t13-/m1/s1
InChIKeyQRCANIDHURSWDK-CYBMUJFWSA-N
MW332.43 g/mol
LogP1.70
Rot. Bonds4

About 6-[[(3R)-1-(benzenesulfonyl)piperidin-3-yl]methyl]pyridazin-3-amine

6-[[(3R)-1-(benzenesulfonyl)piperidin-3-yl]methyl]pyridazin-3-amine (PubChem CID 95847201) has the molecular formula C16H20N4O2S and a molecular weight of 332.43 g/mol. Its IUPAC name is 6-[[(3R)-1-(benzenesulfonyl)piperidin-3-yl]methyl]pyridazin-3-amine.

Molecular Properties

Compound Name6-[[(3R)-1-(benzenesulfonyl)piperidin-3-yl]methyl]pyridazin-3-amine
PubChem CID95847201
Molecular FormulaC16H20N4O2S
Molecular Weight332.43 g/mol
Exact Mass332.13
IUPAC Name6-[[(3R)-1-(benzenesulfonyl)piperidin-3-yl]methyl]pyridazin-3-amine
SMILESNc1ccc(C[C@H]2CCCN(S(=O)(=O)c3ccccc3)C2)nn1
InChIInChI=1S/C16H20N4O2S/c17-16-9-8-14(18-19-16)11-13-5-4-10-20(12-13)23(21,22)15-6-2-1-3-7-15/h1-3,6-9,13H,4-5,10-12H2,(H2,17,19)/t13-/m1/s1
InChIKeyQRCANIDHURSWDK-CYBMUJFWSA-N
XLogP1.70
TPSA89.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(benzenesulfonyl)-3-(chloromethyl)piperidine
CID 63397663
1-[1-(benzenesulfonyl)piperidin-3-yl]-N-methylmethanamine
CID 61205850
1-(benzenesulfonyl)-3-[[1-(cyclopropylmethyl)-5-methylimidazol-2-yl]methyl]piperidine
CID 91911690
[1-(4-aminophenyl)sulfonylpiperidin-3-yl]methanol
CID 43590128
2-[1-(benzenesulfonyl)piperidin-3-yl]-N-piperidin-1-ylacetamide
CID 24962602
2-[1-(3-fluorophenyl)sulfonylpiperidin-3-yl]acetic acid
CID 53211439
(1-pyridin-3-ylsulfonylpiperidin-3-yl)methanamine;hydrochloride
CID 119968968
1-(benzenesulfonyl)piperidine-3-carbaldehyde
CID 63845737
3-[(1-methylimidazol-2-yl)methyl]-1-(3-methylphenyl)sulfonylpiperidine
CID 154796219
2-[(1-pyrrolidin-1-ylsulfonylpiperidin-3-yl)methyl]pyridine
CID 110096214
4-[3-(hydroxymethyl)piperidin-1-yl]sulfonylbenzamide
CID 43589644
(3S)-1-(benzenesulfonyl)-3-propan-2-ylpiperidine
CID 58394752

Frequently Asked Questions

What is the IUPAC name of 6-[[(3R)-1-(benzenesulfonyl)piperidin-3-yl]methyl]pyridazin-3-amine?
The IUPAC name of 6-[[(3R)-1-(benzenesulfonyl)piperidin-3-yl]methyl]pyridazin-3-amine (CID 95847201) is 6-[[(3R)-1-(benzenesulfonyl)piperidin-3-yl]methyl]pyridazin-3-amine.
What is the SMILES notation for 6-[[(3R)-1-(benzenesulfonyl)piperidin-3-yl]methyl]pyridazin-3-amine?
The canonical SMILES for 6-[[(3R)-1-(benzenesulfonyl)piperidin-3-yl]methyl]pyridazin-3-amine is Nc1ccc(C[C@H]2CCCN(S(=O)(=O)c3ccccc3)C2)nn1.
What is the InChIKey of 6-[[(3R)-1-(benzenesulfonyl)piperidin-3-yl]methyl]pyridazin-3-amine?
The InChIKey is QRCANIDHURSWDK-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H20N4O2S/c17-16-9-8-14(18-19-16)11-13-5-4-10-20(12-13)23(21,22)15-6-2-1-3-7-15/h1-3,6-9,13H,4-5,10-12H2,(H2,17,19)/t13-/m1/s1.
What are the key properties of 6-[[(3R)-1-(benzenesulfonyl)piperidin-3-yl]methyl]pyridazin-3-amine?
6-[[(3R)-1-(benzenesulfonyl)piperidin-3-yl]methyl]pyridazin-3-amine has a molecular weight of 332.43 g/mol, XLogP of 1.70, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(3R)-1-(benzenesulfonyl)piperidin-3-yl]methyl]pyridazin-3-amine is sourced from PubChem (CID 95847201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).