2-methylsulfonyl-N-[[(2R)-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]ethanamine

C12H20N4O2S — CID 95610324

IUPAC2-methylsulfonyl-N-[[(2R)-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]ethanamine
SMILESCS(=O)(=O)CCNC[C@H]1CCCN1c1cccnn1
InChIInChI=1S/C12H20N4O2S/c1-19(17,18)9-7-13-10-11-4-3-8-16(11)12-5-2-6-14-15-12/h2,5-6,11,13H,3-4,7-10H2,1H3/t11-/m1/s1
InChIKeySVWJQSKWAUSODE-LLVKDONJSA-N
MW284.38 g/mol
LogP0.08
Rot. Bonds6

About 2-methylsulfonyl-N-[[(2R)-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]ethanamine

2-methylsulfonyl-N-[[(2R)-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]ethanamine (PubChem CID 95610324) has the molecular formula C12H20N4O2S and a molecular weight of 284.38 g/mol. Its IUPAC name is 2-methylsulfonyl-N-[[(2R)-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]ethanamine.

Molecular Properties

Compound Name2-methylsulfonyl-N-[[(2R)-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]ethanamine
PubChem CID95610324
Molecular FormulaC12H20N4O2S
Molecular Weight284.38 g/mol
Exact Mass284.13
IUPAC Name2-methylsulfonyl-N-[[(2R)-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]ethanamine
SMILESCS(=O)(=O)CCNC[C@H]1CCCN1c1cccnn1
InChIInChI=1S/C12H20N4O2S/c1-19(17,18)9-7-13-10-11-4-3-8-16(11)12-5-2-6-14-15-12/h2,5-6,11,13H,3-4,7-10H2,1H3/t11-/m1/s1
InChIKeySVWJQSKWAUSODE-LLVKDONJSA-N
XLogP0.08
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 50.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(4-methylsulfonylphenyl)methyl]-1-[(2S)-1-pyridazin-3-ylpyrrolidin-2-yl]methanamine
CID 95610651
(3R)-N-(2-methylsulfonylethyl)-1-pyridazin-3-ylpiperidin-3-amine
CID 95331275
(1-pyridazin-3-ylpyrrolidin-2-yl)methanol
CID 62482647
(2R)-2-phenyl-1-[[(2S)-1-pyridazin-3-ylpyrrolidin-2-yl]methylamino]propan-2-ol
CID 95600206
2-[[(2R)-1-pyridazin-3-ylpyrrolidin-2-yl]methylamino]-N-[(1S)-1-thiophen-2-ylethyl]acetamide
CID 95764485
2-[[(2S)-1-pyridazin-3-ylpyrrolidin-2-yl]methylamino]-N-[(1R)-1-thiophen-2-ylethyl]acetamide
CID 95764484
N-[(1S)-1-phenylethyl]-2-[[(2R)-1-pyridazin-3-ylpyrrolidin-2-yl]methylamino]acetamide
CID 95600131
3-[2-(bromomethyl)pyrrolidin-1-yl]pyridazine
CID 80668055
N-(1-ethylpiperidin-4-yl)-2-[[(2R)-1-pyridazin-3-ylpyrrolidin-2-yl]methylamino]acetamide
CID 97028778
(1R)-1-(3,4-dimethylphenyl)-2-[[(2S)-1-pyridazin-3-ylpyrrolidin-2-yl]methylamino]ethanol
CID 95764540
N-[(2-methylphenyl)methyl]-2-[[(2S)-1-pyridazin-3-ylpyrrolidin-2-yl]methylamino]acetamide
CID 95600155
N-methyl-2-[[(2S)-1-pyridazin-3-ylpyrrolidin-2-yl]methylamino]-N-(thiophen-2-ylmethyl)acetamide
CID 95757611

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfonyl-N-[[(2R)-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]ethanamine?
The IUPAC name of 2-methylsulfonyl-N-[[(2R)-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]ethanamine (CID 95610324) is 2-methylsulfonyl-N-[[(2R)-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]ethanamine.
What is the SMILES notation for 2-methylsulfonyl-N-[[(2R)-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]ethanamine?
The canonical SMILES for 2-methylsulfonyl-N-[[(2R)-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]ethanamine is CS(=O)(=O)CCNC[C@H]1CCCN1c1cccnn1.
What is the InChIKey of 2-methylsulfonyl-N-[[(2R)-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]ethanamine?
The InChIKey is SVWJQSKWAUSODE-LLVKDONJSA-N. The full InChI is InChI=1S/C12H20N4O2S/c1-19(17,18)9-7-13-10-11-4-3-8-16(11)12-5-2-6-14-15-12/h2,5-6,11,13H,3-4,7-10H2,1H3/t11-/m1/s1.
What are the key properties of 2-methylsulfonyl-N-[[(2R)-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]ethanamine?
2-methylsulfonyl-N-[[(2R)-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]ethanamine has a molecular weight of 284.38 g/mol, XLogP of 0.08, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfonyl-N-[[(2R)-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]ethanamine is sourced from PubChem (CID 95610324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).