1-(1-methylsulfonylpiperidin-3-yl)-N-(1,2,4-oxadiazol-3-ylmethyl)methanamine

C10H18N4O3S — CID 106398693

IUPAC1-(1-methylsulfonylpiperidin-3-yl)-N-(1,2,4-oxadiazol-3-ylmethyl)methanamine
SMILESCS(=O)(=O)N1CCCC(CNCc2ncon2)C1
InChIInChI=1S/C10H18N4O3S/c1-18(15,16)14-4-2-3-9(7-14)5-11-6-10-12-8-17-13-10/h8-9,11H,2-7H2,1H3
InChIKeyAXBGZUXUJLVTTP-UHFFFAOYSA-N
MW274.35 g/mol
LogP-0.17
Rot. Bonds5

About 1-(1-methylsulfonylpiperidin-3-yl)-N-(1,2,4-oxadiazol-3-ylmethyl)methanamine

1-(1-methylsulfonylpiperidin-3-yl)-N-(1,2,4-oxadiazol-3-ylmethyl)methanamine (PubChem CID 106398693) has the molecular formula C10H18N4O3S and a molecular weight of 274.35 g/mol. Its IUPAC name is 1-(1-methylsulfonylpiperidin-3-yl)-N-(1,2,4-oxadiazol-3-ylmethyl)methanamine.

Molecular Properties

Compound Name1-(1-methylsulfonylpiperidin-3-yl)-N-(1,2,4-oxadiazol-3-ylmethyl)methanamine
PubChem CID106398693
Molecular FormulaC10H18N4O3S
Molecular Weight274.35 g/mol
Exact Mass274.11
IUPAC Name1-(1-methylsulfonylpiperidin-3-yl)-N-(1,2,4-oxadiazol-3-ylmethyl)methanamine
SMILESCS(=O)(=O)N1CCCC(CNCc2ncon2)C1
InChIInChI=1S/C10H18N4O3S/c1-18(15,16)14-4-2-3-9(7-14)5-11-6-10-12-8-17-13-10/h8-9,11H,2-7H2,1H3
InChIKeyAXBGZUXUJLVTTP-UHFFFAOYSA-N
XLogP-0.17
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.35
LogP ≤ 5-0.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(5-methylfuran-2-yl)methyl]-1-(1-methylsulfonylpiperidin-3-yl)methanamine
CID 79610199
N-(furan-2-ylmethyl)-1-(1-methylsulfonylpiperidin-3-yl)methanamine
CID 79604623
N-[(4-chlorophenyl)methyl]-1-(1-methylsulfonylpiperidin-3-yl)methanamine
CID 79604875
N-[[4-(chloromethyl)phenyl]methyl]-1-(1-methylsulfonylpiperidin-3-yl)methanamine
CID 107232938
N-[(4,5-dimethylthiophen-2-yl)methyl]-1-(1-methylsulfonylpiperidin-3-yl)methanamine
CID 79609475
1-(1-methylsulfonylpiperidin-3-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine
CID 79604712
2-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[(1-methylsulfonylpiperidin-3-yl)methyl]ethanamine
CID 103746439
N-[(1-methylsulfonylpiperidin-3-yl)methyl]-2-(1,2,4-oxadiazol-5-yl)ethanamine
CID 106399661
N-[(1-methylsulfonylpiperidin-3-yl)methyl]propan-1-amine
CID 63878581
N-[[5-(1,5-dimethylpyrrol-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-1-(1-methylsulfonylpiperidin-3-yl)methanamine
CID 50949176
N-methyl-1-(1-methylsulfonylpiperidin-3-yl)methanamine;hydrochloride
CID 119961049
1-(1-methylsulfonylpiperidin-3-yl)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]methanamine
CID 79612064

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylsulfonylpiperidin-3-yl)-N-(1,2,4-oxadiazol-3-ylmethyl)methanamine?
The IUPAC name of 1-(1-methylsulfonylpiperidin-3-yl)-N-(1,2,4-oxadiazol-3-ylmethyl)methanamine (CID 106398693) is 1-(1-methylsulfonylpiperidin-3-yl)-N-(1,2,4-oxadiazol-3-ylmethyl)methanamine.
What is the SMILES notation for 1-(1-methylsulfonylpiperidin-3-yl)-N-(1,2,4-oxadiazol-3-ylmethyl)methanamine?
The canonical SMILES for 1-(1-methylsulfonylpiperidin-3-yl)-N-(1,2,4-oxadiazol-3-ylmethyl)methanamine is CS(=O)(=O)N1CCCC(CNCc2ncon2)C1.
What is the InChIKey of 1-(1-methylsulfonylpiperidin-3-yl)-N-(1,2,4-oxadiazol-3-ylmethyl)methanamine?
The InChIKey is AXBGZUXUJLVTTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O3S/c1-18(15,16)14-4-2-3-9(7-14)5-11-6-10-12-8-17-13-10/h8-9,11H,2-7H2,1H3.
What are the key properties of 1-(1-methylsulfonylpiperidin-3-yl)-N-(1,2,4-oxadiazol-3-ylmethyl)methanamine?
1-(1-methylsulfonylpiperidin-3-yl)-N-(1,2,4-oxadiazol-3-ylmethyl)methanamine has a molecular weight of 274.35 g/mol, XLogP of -0.17, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylsulfonylpiperidin-3-yl)-N-(1,2,4-oxadiazol-3-ylmethyl)methanamine is sourced from PubChem (CID 106398693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).