(3S)-N-methyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-N-(2-methylsulfonylethyl)piperidin-3-amine

C13H24N4O3S — CID 95610360

IUPAC(3S)-N-methyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-N-(2-methylsulfonylethyl)piperidin-3-amine
SMILESCc1nc(CN2CCC[C@H](N(C)CCS(C)(=O)=O)C2)no1
InChIInChI=1S/C13H24N4O3S/c1-11-14-13(15-20-11)10-17-6-4-5-12(9-17)16(2)7-8-21(3,18)19/h12H,4-10H2,1-3H3/t12-/m0/s1
InChIKeyTXNCQHBLMNOAKC-LBPRGKRZSA-N
MW316.43 g/mol
LogP0.32
Rot. Bonds6

About (3S)-N-methyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-N-(2-methylsulfonylethyl)piperidin-3-amine

(3S)-N-methyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-N-(2-methylsulfonylethyl)piperidin-3-amine (PubChem CID 95610360) has the molecular formula C13H24N4O3S and a molecular weight of 316.43 g/mol. Its IUPAC name is (3S)-N-methyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-N-(2-methylsulfonylethyl)piperidin-3-amine.

Molecular Properties

Compound Name(3S)-N-methyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-N-(2-methylsulfonylethyl)piperidin-3-amine
PubChem CID95610360
Molecular FormulaC13H24N4O3S
Molecular Weight316.43 g/mol
Exact Mass316.16
IUPAC Name(3S)-N-methyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-N-(2-methylsulfonylethyl)piperidin-3-amine
SMILESCc1nc(CN2CCC[C@H](N(C)CCS(C)(=O)=O)C2)no1
InChIInChI=1S/C13H24N4O3S/c1-11-14-13(15-20-11)10-17-6-4-5-12(9-17)16(2)7-8-21(3,18)19/h12H,4-10H2,1-3H3/t12-/m0/s1
InChIKeyTXNCQHBLMNOAKC-LBPRGKRZSA-N
XLogP0.32
TPSA79.54 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.43
LogP ≤ 50.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (3S)-N-methyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-N-(2-methylsulfonylethyl)piperidin-3-amine 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-[methyl-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]amino]propane-1-sulfonamide
CID 154747968
(3S)-N-methyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-N-(2-pyridin-4-ylethyl)piperidin-3-amine
CID 97074219
3-[[(3R)-1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]-methylamino]propane-1-sulfonamide
CID 95614070
4-[(3S)-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]sulfonylmorpholine
CID 124885316
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-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
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
2-[methyl-[(3S)-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]amino]pyridine-3-carbonitrile
CID 95599853
N-[[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]methyl]ethanamine
CID 55256456
1-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-N,N-dimethylpiperidin-3-amine;dihydrochloride
CID 120752789

Frequently Asked Questions

What is the IUPAC name of (3S)-N-methyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-N-(2-methylsulfonylethyl)piperidin-3-amine?
The IUPAC name of (3S)-N-methyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-N-(2-methylsulfonylethyl)piperidin-3-amine (CID 95610360) is (3S)-N-methyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-N-(2-methylsulfonylethyl)piperidin-3-amine.
What is the SMILES notation for (3S)-N-methyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-N-(2-methylsulfonylethyl)piperidin-3-amine?
The canonical SMILES for (3S)-N-methyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-N-(2-methylsulfonylethyl)piperidin-3-amine is Cc1nc(CN2CCC[C@H](N(C)CCS(C)(=O)=O)C2)no1.
What is the InChIKey of (3S)-N-methyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-N-(2-methylsulfonylethyl)piperidin-3-amine?
The InChIKey is TXNCQHBLMNOAKC-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H24N4O3S/c1-11-14-13(15-20-11)10-17-6-4-5-12(9-17)16(2)7-8-21(3,18)19/h12H,4-10H2,1-3H3/t12-/m0/s1.
What are the key properties of (3S)-N-methyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-N-(2-methylsulfonylethyl)piperidin-3-amine?
(3S)-N-methyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-N-(2-methylsulfonylethyl)piperidin-3-amine has a molecular weight of 316.43 g/mol, XLogP of 0.32, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-methyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-N-(2-methylsulfonylethyl)piperidin-3-amine is sourced from PubChem (CID 95610360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).