(3R)-N-(2-methylsulfonylethyl)-1-pyridazin-3-ylpiperidin-3-amine

C12H20N4O2S — CID 95331275

IUPAC(3R)-N-(2-methylsulfonylethyl)-1-pyridazin-3-ylpiperidin-3-amine
SMILESCS(=O)(=O)CCN[C@@H]1CCCN(c2cccnn2)C1
InChIInChI=1S/C12H20N4O2S/c1-19(17,18)9-7-13-11-4-3-8-16(10-11)12-5-2-6-14-15-12/h2,5-6,11,13H,3-4,7-10H2,1H3/t11-/m1/s1
InChIKeyMRWBSBLSEGRLBQ-LLVKDONJSA-N
MW284.38 g/mol
LogP0.08
Rot. Bonds5

About (3R)-N-(2-methylsulfonylethyl)-1-pyridazin-3-ylpiperidin-3-amine

(3R)-N-(2-methylsulfonylethyl)-1-pyridazin-3-ylpiperidin-3-amine (PubChem CID 95331275) has the molecular formula C12H20N4O2S and a molecular weight of 284.38 g/mol. Its IUPAC name is (3R)-N-(2-methylsulfonylethyl)-1-pyridazin-3-ylpiperidin-3-amine.

Molecular Properties

Compound Name(3R)-N-(2-methylsulfonylethyl)-1-pyridazin-3-ylpiperidin-3-amine
PubChem CID95331275
Molecular FormulaC12H20N4O2S
Molecular Weight284.38 g/mol
Exact Mass284.13
IUPAC Name(3R)-N-(2-methylsulfonylethyl)-1-pyridazin-3-ylpiperidin-3-amine
SMILESCS(=O)(=O)CCN[C@@H]1CCCN(c2cccnn2)C1
InChIInChI=1S/C12H20N4O2S/c1-19(17,18)9-7-13-11-4-3-8-16(10-11)12-5-2-6-14-15-12/h2,5-6,11,13H,3-4,7-10H2,1H3/t11-/m1/s1
InChIKeyMRWBSBLSEGRLBQ-LLVKDONJSA-N
XLogP0.08
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
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

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Related Compounds

N-(2-methylsulfonylcyclohexyl)-1-pyridazin-3-ylpiperidin-3-amine
CID 136520505
(3R)-N-[(2,6-difluorophenyl)methyl]-1-pyridazin-3-ylpiperidin-3-amine
CID 124545142
2-methylsulfonyl-N-[[(2R)-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]ethanamine
CID 95610324
(3S)-N-[(2-chlorophenyl)methyl]-1-pyridazin-3-ylpiperidin-3-amine
CID 124544986
N-(5-methyl-1,2-oxazol-3-yl)-3-[[(3R)-1-pyridazin-3-ylpiperidin-3-yl]amino]propanamide
CID 95337777
(3R)-N-[(2-fluorophenyl)methyl]-1-pyridazin-3-ylpiperidin-3-amine
CID 124544993
(3S)-N-[(3-methylimidazol-4-yl)methyl]-1-pyridazin-3-ylpiperidin-3-amine
CID 124545122
N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1-pyridazin-3-ylpiperidin-3-amine
CID 154747903
4-[3-[[(3R)-1-pyridazin-3-ylpiperidin-3-yl]amino]propoxy]benzonitrile
CID 95764429
N-[(3,4-dichlorophenyl)methyl]-1-pyridazin-3-ylpiperidin-3-amine
CID 119127375
3-amino-N-(1-pyridazin-3-ylpiperidin-3-yl)butanamide;hydrochloride
CID 120872944
2-(4-methylphenyl)-1-[(1-pyridazin-3-ylpiperidin-3-yl)amino]propan-2-ol
CID 71933008

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(2-methylsulfonylethyl)-1-pyridazin-3-ylpiperidin-3-amine?
The IUPAC name of (3R)-N-(2-methylsulfonylethyl)-1-pyridazin-3-ylpiperidin-3-amine (CID 95331275) is (3R)-N-(2-methylsulfonylethyl)-1-pyridazin-3-ylpiperidin-3-amine.
What is the SMILES notation for (3R)-N-(2-methylsulfonylethyl)-1-pyridazin-3-ylpiperidin-3-amine?
The canonical SMILES for (3R)-N-(2-methylsulfonylethyl)-1-pyridazin-3-ylpiperidin-3-amine is CS(=O)(=O)CCN[C@@H]1CCCN(c2cccnn2)C1.
What is the InChIKey of (3R)-N-(2-methylsulfonylethyl)-1-pyridazin-3-ylpiperidin-3-amine?
The InChIKey is MRWBSBLSEGRLBQ-LLVKDONJSA-N. The full InChI is InChI=1S/C12H20N4O2S/c1-19(17,18)9-7-13-11-4-3-8-16(10-11)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 (3R)-N-(2-methylsulfonylethyl)-1-pyridazin-3-ylpiperidin-3-amine?
(3R)-N-(2-methylsulfonylethyl)-1-pyridazin-3-ylpiperidin-3-amine has a molecular weight of 284.38 g/mol, XLogP of 0.08, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(2-methylsulfonylethyl)-1-pyridazin-3-ylpiperidin-3-amine is sourced from PubChem (CID 95331275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).