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

C16H25N3O3S — CID 2548120

IUPACN-(cyclohexylmethyl)-5-morpholin-4-ylsulfonylpyridin-2-amine
SMILESO=S(=O)(c1ccc(NCC2CCCCC2)nc1)N1CCOCC1
InChIInChI=1S/C16H25N3O3S/c20-23(21,19-8-10-22-11-9-19)15-6-7-16(18-13-15)17-12-14-4-2-1-3-5-14/h6-7,13-14H,1-5,8-12H2,(H,17,18)
InChIKeyARTBPSOKXHYIJU-UHFFFAOYSA-N
MW339.46 g/mol
LogP2.09
Rot. Bonds5

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

N-(cyclohexylmethyl)-5-morpholin-4-ylsulfonylpyridin-2-amine (PubChem CID 2548120) has the molecular formula C16H25N3O3S and a molecular weight of 339.46 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-5-morpholin-4-ylsulfonylpyridin-2-amine.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-5-morpholin-4-ylsulfonylpyridin-2-amine
PubChem CID2548120
Molecular FormulaC16H25N3O3S
Molecular Weight339.46 g/mol
Exact Mass339.16
IUPAC NameN-(cyclohexylmethyl)-5-morpholin-4-ylsulfonylpyridin-2-amine
SMILESO=S(=O)(c1ccc(NCC2CCCCC2)nc1)N1CCOCC1
InChIInChI=1S/C16H25N3O3S/c20-23(21,19-8-10-22-11-9-19)15-6-7-16(18-13-15)17-12-14-4-2-1-3-5-14/h6-7,13-14H,1-5,8-12H2,(H,17,18)
InChIKeyARTBPSOKXHYIJU-UHFFFAOYSA-N
XLogP2.09
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
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-(cyclohexylmethyl)-5-morpholin-4-ylsulfonylpyridin-2-amine?
The IUPAC name of N-(cyclohexylmethyl)-5-morpholin-4-ylsulfonylpyridin-2-amine (CID 2548120) is N-(cyclohexylmethyl)-5-morpholin-4-ylsulfonylpyridin-2-amine.
What is the SMILES notation for N-(cyclohexylmethyl)-5-morpholin-4-ylsulfonylpyridin-2-amine?
The canonical SMILES for N-(cyclohexylmethyl)-5-morpholin-4-ylsulfonylpyridin-2-amine is O=S(=O)(c1ccc(NCC2CCCCC2)nc1)N1CCOCC1.
What is the InChIKey of N-(cyclohexylmethyl)-5-morpholin-4-ylsulfonylpyridin-2-amine?
The InChIKey is ARTBPSOKXHYIJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O3S/c20-23(21,19-8-10-22-11-9-19)15-6-7-16(18-13-15)17-12-14-4-2-1-3-5-14/h6-7,13-14H,1-5,8-12H2,(H,17,18).
What are the key properties of N-(cyclohexylmethyl)-5-morpholin-4-ylsulfonylpyridin-2-amine?
N-(cyclohexylmethyl)-5-morpholin-4-ylsulfonylpyridin-2-amine has a molecular weight of 339.46 g/mol, XLogP of 2.09, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-5-morpholin-4-ylsulfonylpyridin-2-amine is sourced from PubChem (CID 2548120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).