N-[2-(4-bromophenoxy)ethyl]-N-methyl-5-piperidin-1-ylsulfonylpyridin-2-amine

C19H24BrN3O3S — CID 112768239

IUPACN-[2-(4-bromophenoxy)ethyl]-N-methyl-5-piperidin-1-ylsulfonylpyridin-2-amine
SMILESCN(CCOc1ccc(Br)cc1)c1ccc(S(=O)(=O)N2CCCCC2)cn1
InChIInChI=1S/C19H24BrN3O3S/c1-22(13-14-26-17-7-5-16(20)6-8-17)19-10-9-18(15-21-19)27(24,25)23-11-3-2-4-12-23/h5-10,15H,2-4,11-14H2,1H3
InChIKeyKUNCZEIZMNMLCK-UHFFFAOYSA-N
MW454.39 g/mol
LogP3.53
Rot. Bonds7

About N-[2-(4-bromophenoxy)ethyl]-N-methyl-5-piperidin-1-ylsulfonylpyridin-2-amine

N-[2-(4-bromophenoxy)ethyl]-N-methyl-5-piperidin-1-ylsulfonylpyridin-2-amine (PubChem CID 112768239) has the molecular formula C19H24BrN3O3S and a molecular weight of 454.39 g/mol. Its IUPAC name is N-[2-(4-bromophenoxy)ethyl]-N-methyl-5-piperidin-1-ylsulfonylpyridin-2-amine.

Molecular Properties

Compound NameN-[2-(4-bromophenoxy)ethyl]-N-methyl-5-piperidin-1-ylsulfonylpyridin-2-amine
PubChem CID112768239
Molecular FormulaC19H24BrN3O3S
Molecular Weight454.39 g/mol
Exact Mass453.07
IUPAC NameN-[2-(4-bromophenoxy)ethyl]-N-methyl-5-piperidin-1-ylsulfonylpyridin-2-amine
SMILESCN(CCOc1ccc(Br)cc1)c1ccc(S(=O)(=O)N2CCCCC2)cn1
InChIInChI=1S/C19H24BrN3O3S/c1-22(13-14-26-17-7-5-16(20)6-8-17)19-10-9-18(15-21-19)27(24,25)23-11-3-2-4-12-23/h5-10,15H,2-4,11-14H2,1H3
InChIKeyKUNCZEIZMNMLCK-UHFFFAOYSA-N
XLogP3.53
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.39
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-5-piperidin-1-ylsulfonyl-N-(pyridin-4-ylmethyl)pyridin-2-amine
CID 134017977
N-[(4-chlorophenyl)methyl]-N-methyl-5-piperidin-1-ylsulfonylpyridin-2-amine
CID 9195091
N-[2-(2-methoxyphenoxy)ethyl]-N-methyl-5-morpholin-4-ylsulfonylpyridin-2-amine
CID 55829731
N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-amine
CID 133288130
N-[2-(2-fluorophenoxy)ethyl]-N-methyl-5-morpholin-4-ylsulfonylpyridin-2-amine
CID 24508348
1-(4-propoxyphenyl)sulfonylpyrrolidine
CID 60755176
N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-5-piperidin-1-ylsulfonylpyridin-2-amine
CID 133308607
N-[[3-(dimethylamino)phenyl]methyl]-N-methyl-5-piperidin-1-ylsulfonylpyridin-2-amine
CID 133385878
2-(4-bromophenoxy)ethyl 4-pyrrolidin-1-ylsulfonylbenzoate
CID 2117828
N-methyl-5-pyrrolidin-1-ylsulfonyl-N-[[4-(trifluoromethyl)phenyl]methyl]pyridin-2-amine
CID 8892754
N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-5-piperidin-1-ylsulfonylpyridin-2-amine
CID 31920963
N-[(2,3-dimethoxyphenyl)methyl]-N-methyl-5-pyrrolidin-1-ylsulfonylpyridin-2-amine
CID 9195193

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-bromophenoxy)ethyl]-N-methyl-5-piperidin-1-ylsulfonylpyridin-2-amine?
The IUPAC name of N-[2-(4-bromophenoxy)ethyl]-N-methyl-5-piperidin-1-ylsulfonylpyridin-2-amine (CID 112768239) is N-[2-(4-bromophenoxy)ethyl]-N-methyl-5-piperidin-1-ylsulfonylpyridin-2-amine.
What is the SMILES notation for N-[2-(4-bromophenoxy)ethyl]-N-methyl-5-piperidin-1-ylsulfonylpyridin-2-amine?
The canonical SMILES for N-[2-(4-bromophenoxy)ethyl]-N-methyl-5-piperidin-1-ylsulfonylpyridin-2-amine is CN(CCOc1ccc(Br)cc1)c1ccc(S(=O)(=O)N2CCCCC2)cn1.
What is the InChIKey of N-[2-(4-bromophenoxy)ethyl]-N-methyl-5-piperidin-1-ylsulfonylpyridin-2-amine?
The InChIKey is KUNCZEIZMNMLCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24BrN3O3S/c1-22(13-14-26-17-7-5-16(20)6-8-17)19-10-9-18(15-21-19)27(24,25)23-11-3-2-4-12-23/h5-10,15H,2-4,11-14H2,1H3.
What are the key properties of N-[2-(4-bromophenoxy)ethyl]-N-methyl-5-piperidin-1-ylsulfonylpyridin-2-amine?
N-[2-(4-bromophenoxy)ethyl]-N-methyl-5-piperidin-1-ylsulfonylpyridin-2-amine has a molecular weight of 454.39 g/mol, XLogP of 3.53, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-bromophenoxy)ethyl]-N-methyl-5-piperidin-1-ylsulfonylpyridin-2-amine is sourced from PubChem (CID 112768239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).