N-[1-(4-ethoxyphenyl)sulfonylpiperidin-3-yl]-N,5-dimethylpyrimidin-2-amine

C19H26N4O3S — CID 155977466

IUPACN-[1-(4-ethoxyphenyl)sulfonylpiperidin-3-yl]-N,5-dimethylpyrimidin-2-amine
SMILESCCOc1ccc(S(=O)(=O)N2CCCC(N(C)c3ncc(C)cn3)C2)cc1
InChIInChI=1S/C19H26N4O3S/c1-4-26-17-7-9-18(10-8-17)27(24,25)23-11-5-6-16(14-23)22(3)19-20-12-15(2)13-21-19/h7-10,12-13,16H,4-6,11,14H2,1-3H3
InChIKeyWTEXAJFFPOQSCE-UHFFFAOYSA-N
MW390.51 g/mol
LogP2.47
Rot. Bonds6

About N-[1-(4-ethoxyphenyl)sulfonylpiperidin-3-yl]-N,5-dimethylpyrimidin-2-amine

N-[1-(4-ethoxyphenyl)sulfonylpiperidin-3-yl]-N,5-dimethylpyrimidin-2-amine (PubChem CID 155977466) has the molecular formula C19H26N4O3S and a molecular weight of 390.51 g/mol. Its IUPAC name is N-[1-(4-ethoxyphenyl)sulfonylpiperidin-3-yl]-N,5-dimethylpyrimidin-2-amine.

Molecular Properties

Compound NameN-[1-(4-ethoxyphenyl)sulfonylpiperidin-3-yl]-N,5-dimethylpyrimidin-2-amine
PubChem CID155977466
Molecular FormulaC19H26N4O3S
Molecular Weight390.51 g/mol
Exact Mass390.17
IUPAC NameN-[1-(4-ethoxyphenyl)sulfonylpiperidin-3-yl]-N,5-dimethylpyrimidin-2-amine
SMILESCCOc1ccc(S(=O)(=O)N2CCCC(N(C)c3ncc(C)cn3)C2)cc1
InChIInChI=1S/C19H26N4O3S/c1-4-26-17-7-9-18(10-8-17)27(24,25)23-11-5-6-16(14-23)22(3)19-20-12-15(2)13-21-19/h7-10,12-13,16H,4-6,11,14H2,1-3H3
InChIKeyWTEXAJFFPOQSCE-UHFFFAOYSA-N
XLogP2.47
TPSA75.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.51
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[3-[methyl-(5-methylpyrimidin-2-yl)amino]piperidin-1-yl]sulfonylbenzonitrile
CID 155981899
(3R)-1-(4-ethoxyphenyl)sulfonylpyrrolidine-3-thiol
CID 88954947
2-[(3R)-1-(4-ethoxyphenyl)sulfonylpiperidin-3-yl]-5-(4-methylphenyl)-1,3,4-oxadiazole
CID 99963715
(3S)-1-(4-ethoxyphenyl)sulfonyl-N-(4-fluorophenyl)-N-methylpiperidine-3-carboxamide
CID 125049657
cyclobutyl-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]methanone
CID 2664075
(3R)-1-(4-ethoxyphenyl)sulfonylpyrrolidin-3-ol
CID 66291356
1-(4-ethoxyphenyl)sulfonyl-N-ethylpiperidine-3-carboxamide
CID 2986012
N-[(4-ethoxyphenyl)methyl]-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 133168008
(2R,6R)-1-(4-ethoxyphenyl)sulfonyl-2,6-dimethylpiperidine
CID 40514291
(3S,4S)-1-(4-ethoxyphenyl)sulfonyl-4-hydroxypiperidine-3-carboxylic acid
CID 135090575
1-(4-ethoxyphenyl)sulfonylpyrrolidine-3,4-diol
CID 106672603
4-(azepan-1-ylsulfonyl)-N-cyclopentyl-N-[(4-ethoxyphenyl)methyl]benzenesulfonamide
CID 3192396

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-ethoxyphenyl)sulfonylpiperidin-3-yl]-N,5-dimethylpyrimidin-2-amine?
The IUPAC name of N-[1-(4-ethoxyphenyl)sulfonylpiperidin-3-yl]-N,5-dimethylpyrimidin-2-amine (CID 155977466) is N-[1-(4-ethoxyphenyl)sulfonylpiperidin-3-yl]-N,5-dimethylpyrimidin-2-amine.
What is the SMILES notation for N-[1-(4-ethoxyphenyl)sulfonylpiperidin-3-yl]-N,5-dimethylpyrimidin-2-amine?
The canonical SMILES for N-[1-(4-ethoxyphenyl)sulfonylpiperidin-3-yl]-N,5-dimethylpyrimidin-2-amine is CCOc1ccc(S(=O)(=O)N2CCCC(N(C)c3ncc(C)cn3)C2)cc1.
What is the InChIKey of N-[1-(4-ethoxyphenyl)sulfonylpiperidin-3-yl]-N,5-dimethylpyrimidin-2-amine?
The InChIKey is WTEXAJFFPOQSCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O3S/c1-4-26-17-7-9-18(10-8-17)27(24,25)23-11-5-6-16(14-23)22(3)19-20-12-15(2)13-21-19/h7-10,12-13,16H,4-6,11,14H2,1-3H3.
What are the key properties of N-[1-(4-ethoxyphenyl)sulfonylpiperidin-3-yl]-N,5-dimethylpyrimidin-2-amine?
N-[1-(4-ethoxyphenyl)sulfonylpiperidin-3-yl]-N,5-dimethylpyrimidin-2-amine has a molecular weight of 390.51 g/mol, XLogP of 2.47, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-ethoxyphenyl)sulfonylpiperidin-3-yl]-N,5-dimethylpyrimidin-2-amine is sourced from PubChem (CID 155977466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).