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

C16H25N3O3S — CID 9311729

IUPACN-[(1S,2S)-2-methylcyclohexyl]-5-morpholin-4-ylsulfonylpyridin-2-amine
SMILESC[C@H]1CCCC[C@@H]1Nc1ccc(S(=O)(=O)N2CCOCC2)cn1
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)/t13-,15-/m0/s1
InChIKeyURECFMLYXNGWIZ-ZFWWWQNUSA-N
MW339.46 g/mol
LogP2.09
Rot. Bonds4

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

N-[(1S,2S)-2-methylcyclohexyl]-5-morpholin-4-ylsulfonylpyridin-2-amine (PubChem CID 9311729) has the molecular formula C16H25N3O3S and a molecular weight of 339.46 g/mol. Its IUPAC name is N-[(1S,2S)-2-methylcyclohexyl]-5-morpholin-4-ylsulfonylpyridin-2-amine.

Molecular Properties

Compound NameN-[(1S,2S)-2-methylcyclohexyl]-5-morpholin-4-ylsulfonylpyridin-2-amine
PubChem CID9311729
Molecular FormulaC16H25N3O3S
Molecular Weight339.46 g/mol
Exact Mass339.16
IUPAC NameN-[(1S,2S)-2-methylcyclohexyl]-5-morpholin-4-ylsulfonylpyridin-2-amine
SMILESC[C@H]1CCCC[C@@H]1Nc1ccc(S(=O)(=O)N2CCOCC2)cn1
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)/t13-,15-/m0/s1
InChIKeyURECFMLYXNGWIZ-ZFWWWQNUSA-N
XLogP2.09
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.46
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1R,2R)-2-methylcyclohexyl]-5-morpholin-4-ylsulfonylpyridin-1-ium-2-amine
CID 9311722
N-(1-ethylpiperidin-4-yl)-5-morpholin-4-ylsulfonylpyridin-2-amine
CID 8566045
2-methyl-N-[(1S,2S)-2-methylcyclohexyl]-5-morpholin-4-ylsulfonylbenzamide
CID 2715702
N-cyclohex-3-en-1-yl-5-morpholin-4-ylsulfonylpyridin-2-amine
CID 133322670
N-[(3,5-dimethylpyrazolidin-4-yl)methyl]-5-morpholin-4-ylsulfonylpyridin-2-amine
CID 133306070
N-[(1-methylpiperidin-3-yl)methyl]-5-morpholin-4-ylsulfonylpyridin-2-amine
CID 133430518
N-(4-methylphenyl)-5-morpholin-4-ylsulfonylpyridin-2-amine
CID 5268105
3,5-dimethyl-N'-(5-morpholin-4-ylsulfonyl-2-pyridinyl)pyrazolidine-4-sulfonohydrazide
CID 52987336
N-(1-benzylpiperidin-3-yl)-5-morpholin-4-ylsulfonylpyridin-2-amine
CID 60503346
[1-[(2-methylcyclohexyl)amino]-1-oxopropan-2-yl] 4-morpholin-4-ylsulfonylbenzoate
CID 46788535
N-butyl-5-morpholin-4-ylsulfonylpyridin-2-amine
CID 5268046
4-[[6-(2,3-dimethylpyrrolidin-1-yl)-3-pyridinyl]sulfonyl]morpholine
CID 133357732

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2S)-2-methylcyclohexyl]-5-morpholin-4-ylsulfonylpyridin-2-amine?
The IUPAC name of N-[(1S,2S)-2-methylcyclohexyl]-5-morpholin-4-ylsulfonylpyridin-2-amine (CID 9311729) is N-[(1S,2S)-2-methylcyclohexyl]-5-morpholin-4-ylsulfonylpyridin-2-amine.
What is the SMILES notation for N-[(1S,2S)-2-methylcyclohexyl]-5-morpholin-4-ylsulfonylpyridin-2-amine?
The canonical SMILES for N-[(1S,2S)-2-methylcyclohexyl]-5-morpholin-4-ylsulfonylpyridin-2-amine is C[C@H]1CCCC[C@@H]1Nc1ccc(S(=O)(=O)N2CCOCC2)cn1.
What is the InChIKey of N-[(1S,2S)-2-methylcyclohexyl]-5-morpholin-4-ylsulfonylpyridin-2-amine?
The InChIKey is URECFMLYXNGWIZ-ZFWWWQNUSA-N. 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)/t13-,15-/m0/s1.
What are the key properties of N-[(1S,2S)-2-methylcyclohexyl]-5-morpholin-4-ylsulfonylpyridin-2-amine?
N-[(1S,2S)-2-methylcyclohexyl]-5-morpholin-4-ylsulfonylpyridin-2-amine has a molecular weight of 339.46 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2S)-2-methylcyclohexyl]-5-morpholin-4-ylsulfonylpyridin-2-amine is sourced from PubChem (CID 9311729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).