3-[(3R)-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-N-methylpropane-1-sulfonamide

C14H24N4O3S — CID 96512003

IUPAC3-[(3R)-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-N-methylpropane-1-sulfonamide
SMILESCNS(=O)(=O)CCCN1CCC[C@@H](c2noc(C3CC3)n2)C1
InChIInChI=1S/C14H24N4O3S/c1-15-22(19,20)9-3-8-18-7-2-4-12(10-18)13-16-14(21-17-13)11-5-6-11/h11-12,15H,2-10H2,1H3/t12-/m1/s1
InChIKeyGNXXTEUERKVZOZ-GFCCVEGCSA-N
MW328.44 g/mol
LogP1.07
Rot. Bonds7

About 3-[(3R)-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-N-methylpropane-1-sulfonamide

3-[(3R)-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-N-methylpropane-1-sulfonamide (PubChem CID 96512003) has the molecular formula C14H24N4O3S and a molecular weight of 328.44 g/mol. Its IUPAC name is 3-[(3R)-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-N-methylpropane-1-sulfonamide.

Molecular Properties

Compound Name3-[(3R)-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-N-methylpropane-1-sulfonamide
PubChem CID96512003
Molecular FormulaC14H24N4O3S
Molecular Weight328.44 g/mol
Exact Mass328.16
IUPAC Name3-[(3R)-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-N-methylpropane-1-sulfonamide
SMILESCNS(=O)(=O)CCCN1CCC[C@@H](c2noc(C3CC3)n2)C1
InChIInChI=1S/C14H24N4O3S/c1-15-22(19,20)9-3-8-18-7-2-4-12(10-18)13-16-14(21-17-13)11-5-6-11/h11-12,15H,2-10H2,1H3/t12-/m1/s1
InChIKeyGNXXTEUERKVZOZ-GFCCVEGCSA-N
XLogP1.07
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.44
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[(3R)-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-N-methylpropane-1-sulfonamide?
The IUPAC name of 3-[(3R)-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-N-methylpropane-1-sulfonamide (CID 96512003) is 3-[(3R)-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-N-methylpropane-1-sulfonamide.
What is the SMILES notation for 3-[(3R)-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-N-methylpropane-1-sulfonamide?
The canonical SMILES for 3-[(3R)-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-N-methylpropane-1-sulfonamide is CNS(=O)(=O)CCCN1CCC[C@@H](c2noc(C3CC3)n2)C1.
What is the InChIKey of 3-[(3R)-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-N-methylpropane-1-sulfonamide?
The InChIKey is GNXXTEUERKVZOZ-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H24N4O3S/c1-15-22(19,20)9-3-8-18-7-2-4-12(10-18)13-16-14(21-17-13)11-5-6-11/h11-12,15H,2-10H2,1H3/t12-/m1/s1.
What are the key properties of 3-[(3R)-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-N-methylpropane-1-sulfonamide?
3-[(3R)-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-N-methylpropane-1-sulfonamide has a molecular weight of 328.44 g/mol, XLogP of 1.07, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3R)-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-N-methylpropane-1-sulfonamide is sourced from PubChem (CID 96512003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).