4-(methylaminomethyl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]piperidine-1-sulfonamide

C12H23N5O3S — CID 106423659

IUPAC4-(methylaminomethyl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]piperidine-1-sulfonamide
SMILESCNCC1CCN(S(=O)(=O)NCCc2noc(C)n2)CC1
InChIInChI=1S/C12H23N5O3S/c1-10-15-12(16-20-10)3-6-14-21(18,19)17-7-4-11(5-8-17)9-13-2/h11,13-14H,3-9H2,1-2H3
InChIKeyCRWCVCMOOIMCAD-UHFFFAOYSA-N
MW317.42 g/mol
LogP-0.31
Rot. Bonds7

About 4-(methylaminomethyl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]piperidine-1-sulfonamide

4-(methylaminomethyl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]piperidine-1-sulfonamide (PubChem CID 106423659) has the molecular formula C12H23N5O3S and a molecular weight of 317.42 g/mol. Its IUPAC name is 4-(methylaminomethyl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]piperidine-1-sulfonamide.

Molecular Properties

Compound Name4-(methylaminomethyl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]piperidine-1-sulfonamide
PubChem CID106423659
Molecular FormulaC12H23N5O3S
Molecular Weight317.42 g/mol
Exact Mass317.15
IUPAC Name4-(methylaminomethyl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]piperidine-1-sulfonamide
SMILESCNCC1CCN(S(=O)(=O)NCCc2noc(C)n2)CC1
InChIInChI=1S/C12H23N5O3S/c1-10-15-12(16-20-10)3-6-14-21(18,19)17-7-4-11(5-8-17)9-13-2/h11,13-14H,3-9H2,1-2H3
InChIKeyCRWCVCMOOIMCAD-UHFFFAOYSA-N
XLogP-0.31
TPSA100.36 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.42
LogP ≤ 5-0.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-(hydroxymethyl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]piperidine-1-sulfonamide
CID 106423465
4-(methylaminomethyl)-N-[2-(1-methylpyrazol-3-yl)ethyl]piperidine-1-sulfonamide
CID 106106639
4-(methylaminomethyl)-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]piperidine-1-sulfonamide
CID 106064163
4-(methylaminomethyl)-N-(2-thiophen-3-ylethyl)piperidine-1-sulfonamide
CID 106050085
N-(2,2-dimethylbutyl)-4-(methylaminomethyl)piperidine-1-sulfonamide
CID 103465953
2-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[(1-methylsulfonylpiperidin-3-yl)methyl]ethanamine
CID 103746439
4-(methylaminomethyl)-N-(4-methylsulfanylbutyl)piperidine-1-sulfonamide
CID 106078188
N-(5-methoxypentyl)-4-(methylaminomethyl)piperidine-1-sulfonamide
CID 106092792
4-(methylaminomethyl)-N-(5-methylsulfanylpentyl)piperidine-1-sulfonamide
CID 106093759
1-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-N-methylmethanamine;hydrochloride
CID 119978160
4-(methylaminomethyl)-N-(5,5,5-trifluoropentyl)piperidine-1-sulfonamide
CID 115522886
4-(methylaminomethyl)-N-[(2-methylpyrimidin-4-yl)methyl]piperidine-1-sulfonamide
CID 106014232

Frequently Asked Questions

What is the IUPAC name of 4-(methylaminomethyl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]piperidine-1-sulfonamide?
The IUPAC name of 4-(methylaminomethyl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]piperidine-1-sulfonamide (CID 106423659) is 4-(methylaminomethyl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]piperidine-1-sulfonamide.
What is the SMILES notation for 4-(methylaminomethyl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]piperidine-1-sulfonamide?
The canonical SMILES for 4-(methylaminomethyl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]piperidine-1-sulfonamide is CNCC1CCN(S(=O)(=O)NCCc2noc(C)n2)CC1.
What is the InChIKey of 4-(methylaminomethyl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]piperidine-1-sulfonamide?
The InChIKey is CRWCVCMOOIMCAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N5O3S/c1-10-15-12(16-20-10)3-6-14-21(18,19)17-7-4-11(5-8-17)9-13-2/h11,13-14H,3-9H2,1-2H3.
What are the key properties of 4-(methylaminomethyl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]piperidine-1-sulfonamide?
4-(methylaminomethyl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]piperidine-1-sulfonamide has a molecular weight of 317.42 g/mol, XLogP of -0.31, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylaminomethyl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]piperidine-1-sulfonamide is sourced from PubChem (CID 106423659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).