3-[methyl-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]amino]propane-1-sulfonamide

C13H25N5O3S — CID 154747968

IUPAC3-[methyl-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]amino]propane-1-sulfonamide
SMILESCc1nc(CN2CCCC(N(C)CCCS(N)(=O)=O)C2)no1
InChIInChI=1S/C13H25N5O3S/c1-11-15-13(16-21-11)10-18-7-3-5-12(9-18)17(2)6-4-8-22(14,19)20/h12H,3-10H2,1-2H3,(H2,14,19,20)
InChIKeyBAGYORPWMDYITG-UHFFFAOYSA-N
MW331.44 g/mol
LogP-0.05
Rot. Bonds7

About 3-[methyl-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]amino]propane-1-sulfonamide

3-[methyl-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]amino]propane-1-sulfonamide (PubChem CID 154747968) has the molecular formula C13H25N5O3S and a molecular weight of 331.44 g/mol. Its IUPAC name is 3-[methyl-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]amino]propane-1-sulfonamide.

Molecular Properties

Compound Name3-[methyl-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]amino]propane-1-sulfonamide
PubChem CID154747968
Molecular FormulaC13H25N5O3S
Molecular Weight331.44 g/mol
Exact Mass331.17
IUPAC Name3-[methyl-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]amino]propane-1-sulfonamide
SMILESCc1nc(CN2CCCC(N(C)CCCS(N)(=O)=O)C2)no1
InChIInChI=1S/C13H25N5O3S/c1-11-15-13(16-21-11)10-18-7-3-5-12(9-18)17(2)6-4-8-22(14,19)20/h12H,3-10H2,1-2H3,(H2,14,19,20)
InChIKeyBAGYORPWMDYITG-UHFFFAOYSA-N
XLogP-0.05
TPSA105.56 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 5-0.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-[methyl-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]amino]propane-1-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[[(3R)-1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]-methylamino]propane-1-sulfonamide
CID 95614070
(3S)-N-methyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-N-(2-methylsulfonylethyl)piperidin-3-amine
CID 95610360
(3S)-N-methyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-N-(2-pyridin-4-ylethyl)piperidin-3-amine
CID 97074219
N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-N-methyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-amine
CID 56802392
4-[(3S)-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]sulfonylmorpholine
CID 124885316
2-[methyl-[(3S)-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]amino]pyridine-3-carbonitrile
CID 95599853
4-fluoro-3-[[methyl-[(3R)-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]amino]methyl]benzonitrile
CID 95606335
(3R)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methylpiperidin-3-amine
CID 95614088
1-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-N,N-dimethylpiperidin-3-amine;dihydrochloride
CID 120752789
N-methyl-1-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]methanamine
CID 61205541
azepan-1-yl-[(3S)-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]methanone
CID 95316835
[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-yl]methanamine
CID 62062544

Frequently Asked Questions

What is the IUPAC name of 3-[methyl-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]amino]propane-1-sulfonamide?
The IUPAC name of 3-[methyl-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]amino]propane-1-sulfonamide (CID 154747968) is 3-[methyl-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]amino]propane-1-sulfonamide.
What is the SMILES notation for 3-[methyl-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]amino]propane-1-sulfonamide?
The canonical SMILES for 3-[methyl-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]amino]propane-1-sulfonamide is Cc1nc(CN2CCCC(N(C)CCCS(N)(=O)=O)C2)no1.
What is the InChIKey of 3-[methyl-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]amino]propane-1-sulfonamide?
The InChIKey is BAGYORPWMDYITG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N5O3S/c1-11-15-13(16-21-11)10-18-7-3-5-12(9-18)17(2)6-4-8-22(14,19)20/h12H,3-10H2,1-2H3,(H2,14,19,20).
What are the key properties of 3-[methyl-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]amino]propane-1-sulfonamide?
3-[methyl-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]amino]propane-1-sulfonamide has a molecular weight of 331.44 g/mol, XLogP of -0.05, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]amino]propane-1-sulfonamide is sourced from PubChem (CID 154747968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).