N-(4-methylcyclohexyl)-5-morpholin-4-ylsulfonylpyridin-2-amine

C16H25N3O3S — CID 4825872

IUPACN-(4-methylcyclohexyl)-5-morpholin-4-ylsulfonylpyridin-2-amine
SMILESCC1CCC(Nc2ccc(S(=O)(=O)N3CCOCC3)cn2)CC1
InChIInChI=1S/C16H25N3O3S/c1-13-2-4-14(5-3-13)18-16-7-6-15(12-17-16)23(20,21)19-8-10-22-11-9-19/h6-7,12-14H,2-5,8-11H2,1H3,(H,17,18)
InChIKeyDRVGPZUMEDPDCY-UHFFFAOYSA-N
MW339.46 g/mol
LogP2.09
Rot. Bonds4

About N-(4-methylcyclohexyl)-5-morpholin-4-ylsulfonylpyridin-2-amine

N-(4-methylcyclohexyl)-5-morpholin-4-ylsulfonylpyridin-2-amine (PubChem CID 4825872) has the molecular formula C16H25N3O3S and a molecular weight of 339.46 g/mol. Its IUPAC name is N-(4-methylcyclohexyl)-5-morpholin-4-ylsulfonylpyridin-2-amine.

Molecular Properties

Compound NameN-(4-methylcyclohexyl)-5-morpholin-4-ylsulfonylpyridin-2-amine
PubChem CID4825872
Molecular FormulaC16H25N3O3S
Molecular Weight339.46 g/mol
Exact Mass339.16
IUPAC NameN-(4-methylcyclohexyl)-5-morpholin-4-ylsulfonylpyridin-2-amine
SMILESCC1CCC(Nc2ccc(S(=O)(=O)N3CCOCC3)cn2)CC1
InChIInChI=1S/C16H25N3O3S/c1-13-2-4-14(5-3-13)18-16-7-6-15(12-17-16)23(20,21)19-8-10-22-11-9-19/h6-7,12-14H,2-5,8-11H2,1H3,(H,17,18)
InChIKeyDRVGPZUMEDPDCY-UHFFFAOYSA-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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Frequently Asked Questions

What is the IUPAC name of N-(4-methylcyclohexyl)-5-morpholin-4-ylsulfonylpyridin-2-amine?
The IUPAC name of N-(4-methylcyclohexyl)-5-morpholin-4-ylsulfonylpyridin-2-amine (CID 4825872) is N-(4-methylcyclohexyl)-5-morpholin-4-ylsulfonylpyridin-2-amine.
What is the SMILES notation for N-(4-methylcyclohexyl)-5-morpholin-4-ylsulfonylpyridin-2-amine?
The canonical SMILES for N-(4-methylcyclohexyl)-5-morpholin-4-ylsulfonylpyridin-2-amine is CC1CCC(Nc2ccc(S(=O)(=O)N3CCOCC3)cn2)CC1.
What is the InChIKey of N-(4-methylcyclohexyl)-5-morpholin-4-ylsulfonylpyridin-2-amine?
The InChIKey is DRVGPZUMEDPDCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O3S/c1-13-2-4-14(5-3-13)18-16-7-6-15(12-17-16)23(20,21)19-8-10-22-11-9-19/h6-7,12-14H,2-5,8-11H2,1H3,(H,17,18).
What are the key properties of N-(4-methylcyclohexyl)-5-morpholin-4-ylsulfonylpyridin-2-amine?
N-(4-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-(4-methylcyclohexyl)-5-morpholin-4-ylsulfonylpyridin-2-amine is sourced from PubChem (CID 4825872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).