N-(2-methylsulfonylcyclohexyl)-1-pyridazin-3-ylpiperidin-3-amine

C16H26N4O2S — CID 136520505

IUPACN-(2-methylsulfonylcyclohexyl)-1-pyridazin-3-ylpiperidin-3-amine
SMILESCS(=O)(=O)C1CCCCC1NC1CCCN(c2cccnn2)C1
InChIInChI=1S/C16H26N4O2S/c1-23(21,22)15-8-3-2-7-14(15)18-13-6-5-11-20(12-13)16-9-4-10-17-19-16/h4,9-10,13-15,18H,2-3,5-8,11-12H2,1H3
InChIKeyWFOGLIRONDLFPZ-UHFFFAOYSA-N
MW338.48 g/mol
LogP1.39
Rot. Bonds4

About N-(2-methylsulfonylcyclohexyl)-1-pyridazin-3-ylpiperidin-3-amine

N-(2-methylsulfonylcyclohexyl)-1-pyridazin-3-ylpiperidin-3-amine (PubChem CID 136520505) has the molecular formula C16H26N4O2S and a molecular weight of 338.48 g/mol. Its IUPAC name is N-(2-methylsulfonylcyclohexyl)-1-pyridazin-3-ylpiperidin-3-amine.

Molecular Properties

Compound NameN-(2-methylsulfonylcyclohexyl)-1-pyridazin-3-ylpiperidin-3-amine
PubChem CID136520505
Molecular FormulaC16H26N4O2S
Molecular Weight338.48 g/mol
Exact Mass338.18
IUPAC NameN-(2-methylsulfonylcyclohexyl)-1-pyridazin-3-ylpiperidin-3-amine
SMILESCS(=O)(=O)C1CCCCC1NC1CCCN(c2cccnn2)C1
InChIInChI=1S/C16H26N4O2S/c1-23(21,22)15-8-3-2-7-14(15)18-13-6-5-11-20(12-13)16-9-4-10-17-19-16/h4,9-10,13-15,18H,2-3,5-8,11-12H2,1H3
InChIKeyWFOGLIRONDLFPZ-UHFFFAOYSA-N
XLogP1.39
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.48
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(3R)-N-(2-methylsulfonylethyl)-1-pyridazin-3-ylpiperidin-3-amine
CID 95331275
(3R)-N-methyl-1-pyridazin-3-ylpyrrolidin-3-amine
CID 177337485
N-methyl-1-pyridazin-3-ylpiperidine-3-carboxamide
CID 110269425
cis-(1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)-N-[(3S)-1-pyridazin-3-ylpiperidin-3-yl]cyclopropane-1-carboxamide
CID 124859320
N-[(1-methylbenzimidazol-2-yl)methyl]-1-pyridazin-3-ylpiperidin-3-amine
CID 56778130
1-pyridazin-3-ylpiperidin-3-amine
CID 54593919
3-amino-N-(1-pyridazin-3-ylpiperidin-3-yl)butanamide;hydrochloride
CID 120872944
1-pyridazin-3-ylpiperidine-3-carbaldehyde
CID 62664168
(3S)-N-[(2-chlorophenyl)methyl]-1-pyridazin-3-ylpiperidin-3-amine
CID 124544986
(3R)-N-[(2,6-difluorophenyl)methyl]-1-pyridazin-3-ylpiperidin-3-amine
CID 124545142
(3R)-N-[(2,5-dimethoxyphenyl)methyl]-1-pyridazin-3-ylpiperidin-3-amine
CID 95321454
2-(4-fluorophenoxy)-N-(1-pyridazin-3-ylpiperidin-3-yl)acetamide
CID 122137262

Frequently Asked Questions

What is the IUPAC name of N-(2-methylsulfonylcyclohexyl)-1-pyridazin-3-ylpiperidin-3-amine?
The IUPAC name of N-(2-methylsulfonylcyclohexyl)-1-pyridazin-3-ylpiperidin-3-amine (CID 136520505) is N-(2-methylsulfonylcyclohexyl)-1-pyridazin-3-ylpiperidin-3-amine.
What is the SMILES notation for N-(2-methylsulfonylcyclohexyl)-1-pyridazin-3-ylpiperidin-3-amine?
The canonical SMILES for N-(2-methylsulfonylcyclohexyl)-1-pyridazin-3-ylpiperidin-3-amine is CS(=O)(=O)C1CCCCC1NC1CCCN(c2cccnn2)C1.
What is the InChIKey of N-(2-methylsulfonylcyclohexyl)-1-pyridazin-3-ylpiperidin-3-amine?
The InChIKey is WFOGLIRONDLFPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O2S/c1-23(21,22)15-8-3-2-7-14(15)18-13-6-5-11-20(12-13)16-9-4-10-17-19-16/h4,9-10,13-15,18H,2-3,5-8,11-12H2,1H3.
What are the key properties of N-(2-methylsulfonylcyclohexyl)-1-pyridazin-3-ylpiperidin-3-amine?
N-(2-methylsulfonylcyclohexyl)-1-pyridazin-3-ylpiperidin-3-amine has a molecular weight of 338.48 g/mol, XLogP of 1.39, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylsulfonylcyclohexyl)-1-pyridazin-3-ylpiperidin-3-amine is sourced from PubChem (CID 136520505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).