N-[(1R,2R)-2-methylcyclohexyl]-5-morpholin-4-ylsulfonylpyridin-1-ium-2-amine

C16H26N3O3S+ — CID 9311722

IUPACN-[(1R,2R)-2-methylcyclohexyl]-5-morpholin-4-ylsulfonylpyridin-1-ium-2-amine
SMILESC[C@@H]1CCCC[C@H]1Nc1ccc(S(=O)(=O)N2CCOCC2)c[nH+]1
InChIInChI=1S/C16H25N3O3S/c1-13-4-2-3-5-15(13)18-16-7-6-14(12-17-16)23(20,21)19-8-10-22-11-9-19/h6-7,12-13,15H,2-5,8-11H2,1H3,(H,17,18)/p+1/t13-,15-/m1/s1
InChIKeyURECFMLYXNGWIZ-UKRRQHHQSA-O
MW340.47 g/mol
LogP1.51
Rot. Bonds4

About N-[(1R,2R)-2-methylcyclohexyl]-5-morpholin-4-ylsulfonylpyridin-1-ium-2-amine

N-[(1R,2R)-2-methylcyclohexyl]-5-morpholin-4-ylsulfonylpyridin-1-ium-2-amine (PubChem CID 9311722) has the molecular formula C16H26N3O3S+ and a molecular weight of 340.47 g/mol. Its IUPAC name is N-[(1R,2R)-2-methylcyclohexyl]-5-morpholin-4-ylsulfonylpyridin-1-ium-2-amine.

Molecular Properties

Compound NameN-[(1R,2R)-2-methylcyclohexyl]-5-morpholin-4-ylsulfonylpyridin-1-ium-2-amine
PubChem CID9311722
Molecular FormulaC16H26N3O3S+
Molecular Weight340.47 g/mol
Exact Mass340.17
IUPAC NameN-[(1R,2R)-2-methylcyclohexyl]-5-morpholin-4-ylsulfonylpyridin-1-ium-2-amine
SMILESC[C@@H]1CCCC[C@H]1Nc1ccc(S(=O)(=O)N2CCOCC2)c[nH+]1
InChIInChI=1S/C16H25N3O3S/c1-13-4-2-3-5-15(13)18-16-7-6-14(12-17-16)23(20,21)19-8-10-22-11-9-19/h6-7,12-13,15H,2-5,8-11H2,1H3,(H,17,18)/p+1/t13-,15-/m1/s1
InChIKeyURECFMLYXNGWIZ-UKRRQHHQSA-O
XLogP1.51
TPSA72.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1S,2S)-2-methylcyclohexyl]-5-morpholin-4-ylsulfonylpyridin-2-amine
CID 9311729
N-cyclopentyl-5-pyrrolidin-1-ylsulfonylpyridin-1-ium-2-amine
CID 9282597
5-morpholin-4-ylsulfonyl-N-(1-propylpiperidin-1-ium-4-yl)pyridin-1-ium-2-amine
CID 8567123
N-cyclohexyl-5-(4-methylpiperazin-4-ium-1-yl)sulfonylpyridin-1-ium-2-amine
CID 9453718
N-(3-cyclohexyloxypropyl)-5-morpholin-4-ylsulfonylpyridin-1-ium-2-amine
CID 9025296
2-methyl-N-[(1S,2S)-2-methylcyclohexyl]-5-morpholin-4-ylsulfonylbenzamide
CID 2715702
(2R)-N-[(1S,2R)-2-methylcyclohexyl]-2-(4-morpholin-4-ylsulfonylphenoxy)propanamide
CID 9332032
N-[(1S)-1-(1-adamantyl)ethyl]-5-morpholin-4-ylsulfonylpyridin-1-ium-2-amine
CID 9283334
[2-[[(1R,2R)-2-methylcyclohexyl]amino]-2-oxoethyl] 4-morpholin-4-ylsulfonylbenzoate
CID 7119219
5-morpholin-4-ylsulfonyl-N-[(1S)-1-thiophen-2-ylethyl]pyridin-1-ium-2-amine
CID 9109319
[1-[(2-methylcyclohexyl)amino]-1-oxopropan-2-yl] 4-morpholin-4-ylsulfonylbenzoate
CID 46788535
4-(6-piperidin-1-ylpyridin-1-ium-3-yl)sulfonylmorpholine
CID 9196183

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-2-methylcyclohexyl]-5-morpholin-4-ylsulfonylpyridin-1-ium-2-amine?
The IUPAC name of N-[(1R,2R)-2-methylcyclohexyl]-5-morpholin-4-ylsulfonylpyridin-1-ium-2-amine (CID 9311722) is N-[(1R,2R)-2-methylcyclohexyl]-5-morpholin-4-ylsulfonylpyridin-1-ium-2-amine.
What is the SMILES notation for N-[(1R,2R)-2-methylcyclohexyl]-5-morpholin-4-ylsulfonylpyridin-1-ium-2-amine?
The canonical SMILES for N-[(1R,2R)-2-methylcyclohexyl]-5-morpholin-4-ylsulfonylpyridin-1-ium-2-amine is C[C@@H]1CCCC[C@H]1Nc1ccc(S(=O)(=O)N2CCOCC2)c[nH+]1.
What is the InChIKey of N-[(1R,2R)-2-methylcyclohexyl]-5-morpholin-4-ylsulfonylpyridin-1-ium-2-amine?
The InChIKey is URECFMLYXNGWIZ-UKRRQHHQSA-O. The full InChI is InChI=1S/C16H25N3O3S/c1-13-4-2-3-5-15(13)18-16-7-6-14(12-17-16)23(20,21)19-8-10-22-11-9-19/h6-7,12-13,15H,2-5,8-11H2,1H3,(H,17,18)/p+1/t13-,15-/m1/s1.
What are the key properties of N-[(1R,2R)-2-methylcyclohexyl]-5-morpholin-4-ylsulfonylpyridin-1-ium-2-amine?
N-[(1R,2R)-2-methylcyclohexyl]-5-morpholin-4-ylsulfonylpyridin-1-ium-2-amine has a molecular weight of 340.47 g/mol, XLogP of 1.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-2-methylcyclohexyl]-5-morpholin-4-ylsulfonylpyridin-1-ium-2-amine is sourced from PubChem (CID 9311722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).