4-ethyl-6-(4-methylsulfonylphenyl)-N-(oxan-2-ylmethyl)pyridin-2-amine

C20H26N2O3S — CID 11176284

IUPAC4-ethyl-6-(4-methylsulfonylphenyl)-N-(oxan-2-ylmethyl)pyridin-2-amine
SMILESCCc1cc(NCC2CCCCO2)nc(-c2ccc(S(C)(=O)=O)cc2)c1
InChIInChI=1S/C20H26N2O3S/c1-3-15-12-19(16-7-9-18(10-8-16)26(2,23)24)22-20(13-15)21-14-17-6-4-5-11-25-17/h7-10,12-13,17H,3-6,11,14H2,1-2H3,(H,21,22)
InChIKeyHLZXPHAQQJFBEQ-UHFFFAOYSA-N
MW374.51 g/mol
LogP3.70
Rot. Bonds6

About 4-ethyl-6-(4-methylsulfonylphenyl)-N-(oxan-2-ylmethyl)pyridin-2-amine

4-ethyl-6-(4-methylsulfonylphenyl)-N-(oxan-2-ylmethyl)pyridin-2-amine (PubChem CID 11176284) has the molecular formula C20H26N2O3S and a molecular weight of 374.51 g/mol. Its IUPAC name is 4-ethyl-6-(4-methylsulfonylphenyl)-N-(oxan-2-ylmethyl)pyridin-2-amine.

Molecular Properties

Compound Name4-ethyl-6-(4-methylsulfonylphenyl)-N-(oxan-2-ylmethyl)pyridin-2-amine
PubChem CID11176284
Molecular FormulaC20H26N2O3S
Molecular Weight374.51 g/mol
Exact Mass374.17
IUPAC Name4-ethyl-6-(4-methylsulfonylphenyl)-N-(oxan-2-ylmethyl)pyridin-2-amine
SMILESCCc1cc(NCC2CCCCO2)nc(-c2ccc(S(C)(=O)=O)cc2)c1
InChIInChI=1S/C20H26N2O3S/c1-3-15-12-19(16-7-9-18(10-8-16)26(2,23)24)22-20(13-15)21-14-17-6-4-5-11-25-17/h7-10,12-13,17H,3-6,11,14H2,1-2H3,(H,21,22)
InChIKeyHLZXPHAQQJFBEQ-UHFFFAOYSA-N
XLogP3.70
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.51
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-N,2-diethyl-4-N-(oxan-2-ylmethyl)pyrimidine-4,6-diamine
CID 80934388
4-(2-methyl-1,3-oxazol-4-yl)-N-(oxan-2-ylmethyl)benzenesulfonamide
CID 56805930
CID 156650386
CID 156650386
2-methyl-1-[(4-methylsulfonylphenyl)methyl]-3-(oxolan-2-ylmethyl)guanidine
CID 111137597
6-chloro-2-methyl-N-(oxan-2-ylmethyl)pyrimidin-4-amine
CID 62480935
2-methyl-1-[(4-methylsulfonylphenyl)methyl]-3-(oxolan-2-ylmethyl)guanidine;hydroiodide
CID 111137596
2-cyclopropyl-6-N-methyl-4-N-(oxan-2-ylmethyl)pyrimidine-4,6-diamine
CID 80961722
2-N-(4-methylphenyl)-4-N-(oxolan-2-ylmethyl)-6-phenylpyrimidine-2,4-diamine
CID 112935644
2-(4-methylsulfonylphenyl)-6-(oxolan-2-ylmethoxy)pyrazine
CID 163629142
6-(4-bromophenyl)-N-[[(2R)-oxolan-2-yl]methyl]pyridazin-3-amine
CID 29126982
2-ethyl-6-hydrazinyl-N-(oxolan-2-ylmethyl)pyrimidin-4-amine
CID 80938700
6-chloro-N-(oxan-2-ylmethyl)-2-propylpyrimidin-4-amine
CID 80938789

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-6-(4-methylsulfonylphenyl)-N-(oxan-2-ylmethyl)pyridin-2-amine?
The IUPAC name of 4-ethyl-6-(4-methylsulfonylphenyl)-N-(oxan-2-ylmethyl)pyridin-2-amine (CID 11176284) is 4-ethyl-6-(4-methylsulfonylphenyl)-N-(oxan-2-ylmethyl)pyridin-2-amine.
What is the SMILES notation for 4-ethyl-6-(4-methylsulfonylphenyl)-N-(oxan-2-ylmethyl)pyridin-2-amine?
The canonical SMILES for 4-ethyl-6-(4-methylsulfonylphenyl)-N-(oxan-2-ylmethyl)pyridin-2-amine is CCc1cc(NCC2CCCCO2)nc(-c2ccc(S(C)(=O)=O)cc2)c1.
What is the InChIKey of 4-ethyl-6-(4-methylsulfonylphenyl)-N-(oxan-2-ylmethyl)pyridin-2-amine?
The InChIKey is HLZXPHAQQJFBEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3S/c1-3-15-12-19(16-7-9-18(10-8-16)26(2,23)24)22-20(13-15)21-14-17-6-4-5-11-25-17/h7-10,12-13,17H,3-6,11,14H2,1-2H3,(H,21,22).
What are the key properties of 4-ethyl-6-(4-methylsulfonylphenyl)-N-(oxan-2-ylmethyl)pyridin-2-amine?
4-ethyl-6-(4-methylsulfonylphenyl)-N-(oxan-2-ylmethyl)pyridin-2-amine has a molecular weight of 374.51 g/mol, XLogP of 3.70, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-6-(4-methylsulfonylphenyl)-N-(oxan-2-ylmethyl)pyridin-2-amine is sourced from PubChem (CID 11176284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).