N,N-dimethyl-2-[3-methyl-4-(4-methylpiperidin-1-yl)sulfonyl-1,2-oxazol-5-yl]ethenamine

C14H23N3O3S — CID 5047252

IUPACN,N-dimethyl-2-[3-methyl-4-(4-methylpiperidin-1-yl)sulfonyl-1,2-oxazol-5-yl]ethenamine
SMILESCc1noc(C=CN(C)C)c1S(=O)(=O)N1CCC(C)CC1
InChIInChI=1S/C14H23N3O3S/c1-11-5-9-17(10-6-11)21(18,19)14-12(2)15-20-13(14)7-8-16(3)4/h7-8,11H,5-6,9-10H2,1-4H3
InChIKeyPVQOBVXQUMQFGY-UHFFFAOYSA-N
MW313.42 g/mol
LogP1.94
Rot. Bonds4

About N,N-dimethyl-2-[3-methyl-4-(4-methylpiperidin-1-yl)sulfonyl-1,2-oxazol-5-yl]ethenamine

N,N-dimethyl-2-[3-methyl-4-(4-methylpiperidin-1-yl)sulfonyl-1,2-oxazol-5-yl]ethenamine (PubChem CID 5047252) has the molecular formula C14H23N3O3S and a molecular weight of 313.42 g/mol. Its IUPAC name is N,N-dimethyl-2-[3-methyl-4-(4-methylpiperidin-1-yl)sulfonyl-1,2-oxazol-5-yl]ethenamine.

Molecular Properties

Compound NameN,N-dimethyl-2-[3-methyl-4-(4-methylpiperidin-1-yl)sulfonyl-1,2-oxazol-5-yl]ethenamine
PubChem CID5047252
Molecular FormulaC14H23N3O3S
Molecular Weight313.42 g/mol
Exact Mass313.15
IUPAC NameN,N-dimethyl-2-[3-methyl-4-(4-methylpiperidin-1-yl)sulfonyl-1,2-oxazol-5-yl]ethenamine
SMILESCc1noc(C=CN(C)C)c1S(=O)(=O)N1CCC(C)CC1
InChIInChI=1S/C14H23N3O3S/c1-11-5-9-17(10-6-11)21(18,19)14-12(2)15-20-13(14)7-8-16(3)4/h7-8,11H,5-6,9-10H2,1-4H3
InChIKeyPVQOBVXQUMQFGY-UHFFFAOYSA-N
XLogP1.94
TPSA66.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-dimethyl-2-[3-methyl-4-(4-propylpiperazin-1-yl)sulfonyl-1,2-oxazol-5-yl]ethenamine
CID 5047254
1-[[5-[(E)-2-(dimethylamino)ethenyl]-3-methyl-1,2-oxazol-4-yl]sulfonyl]-N-(2-methylcyclohexyl)piperidine-3-carboxamide
CID 5308588
N-cyclohexyl-5-[2-(dimethylamino)ethenyl]-3-methyl-1,2-oxazole-4-sulfonamide
CID 3244992
(3S)-1-[[5-[(E)-2-(dimethylamino)ethenyl]-3-methyl-1,2-oxazol-4-yl]sulfonyl]-N-(2,4-dimethylphenyl)piperidine-3-carboxamide
CID 94243888
[1-[[3-methyl-5-[2-(3-methylphenyl)ethenyl]-1,2-oxazol-4-yl]sulfonyl]piperidin-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 71830069
2,3-dihydroindol-1-yl-[(3S)-1-[[5-[(E)-2-(dimethylamino)ethenyl]-3-methyl-1,2-oxazol-4-yl]sulfonyl]piperidin-3-yl]methanone
CID 94243870
(3S)-1-[[5-[(E)-2-(dimethylamino)ethenyl]-3-methyl-1,2-oxazol-4-yl]sulfonyl]-N-(2-methoxyphenyl)piperidine-3-carboxamide
CID 94243936
1-[[5-[(E)-2-(dimethylamino)ethenyl]-3-methyl-1,2-oxazol-4-yl]sulfonyl]-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide
CID 5309162
(3S)-1-[[5-[(E)-2-(dimethylamino)ethenyl]-3-methyl-1,2-oxazol-4-yl]sulfonyl]-N-(2-methoxy-5-methylphenyl)piperidine-3-carboxamide
CID 94243922
N-methyl-1-[[3-methyl-5-[(E)-2-(4-methylphenyl)ethenyl]-1,2-oxazol-4-yl]sulfonyl]-N-(4-methylphenyl)piperidine-4-carboxamide
CID 46351494
1-[[5-[(E)-2-(2-fluorophenyl)ethenyl]-3-methyl-1,2-oxazol-4-yl]sulfonyl]-N-[2-(4-methylpiperidin-1-yl)ethyl]piperidine-4-carboxamide
CID 46351689
[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]methanol
CID 39373161

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[3-methyl-4-(4-methylpiperidin-1-yl)sulfonyl-1,2-oxazol-5-yl]ethenamine?
The IUPAC name of N,N-dimethyl-2-[3-methyl-4-(4-methylpiperidin-1-yl)sulfonyl-1,2-oxazol-5-yl]ethenamine (CID 5047252) is N,N-dimethyl-2-[3-methyl-4-(4-methylpiperidin-1-yl)sulfonyl-1,2-oxazol-5-yl]ethenamine.
What is the SMILES notation for N,N-dimethyl-2-[3-methyl-4-(4-methylpiperidin-1-yl)sulfonyl-1,2-oxazol-5-yl]ethenamine?
The canonical SMILES for N,N-dimethyl-2-[3-methyl-4-(4-methylpiperidin-1-yl)sulfonyl-1,2-oxazol-5-yl]ethenamine is Cc1noc(C=CN(C)C)c1S(=O)(=O)N1CCC(C)CC1.
What is the InChIKey of N,N-dimethyl-2-[3-methyl-4-(4-methylpiperidin-1-yl)sulfonyl-1,2-oxazol-5-yl]ethenamine?
The InChIKey is PVQOBVXQUMQFGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3S/c1-11-5-9-17(10-6-11)21(18,19)14-12(2)15-20-13(14)7-8-16(3)4/h7-8,11H,5-6,9-10H2,1-4H3.
What are the key properties of N,N-dimethyl-2-[3-methyl-4-(4-methylpiperidin-1-yl)sulfonyl-1,2-oxazol-5-yl]ethenamine?
N,N-dimethyl-2-[3-methyl-4-(4-methylpiperidin-1-yl)sulfonyl-1,2-oxazol-5-yl]ethenamine has a molecular weight of 313.42 g/mol, XLogP of 1.94, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[3-methyl-4-(4-methylpiperidin-1-yl)sulfonyl-1,2-oxazol-5-yl]ethenamine is sourced from PubChem (CID 5047252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).