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

C12H22N4O3S — CID 75461089

IUPACN-[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NC1CCN(Cc2nnc(C)o2)CC1
InChIInChI=1S/C12H22N4O3S/c1-3-8-20(17,18)15-11-4-6-16(7-5-11)9-12-14-13-10(2)19-12/h11,15H,3-9H2,1-2H3
InChIKeyDGYSVRZLCNLEMI-UHFFFAOYSA-N
MW302.40 g/mol
LogP0.67
Rot. Bonds6

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

N-[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]propane-1-sulfonamide (PubChem CID 75461089) has the molecular formula C12H22N4O3S and a molecular weight of 302.40 g/mol. Its IUPAC name is N-[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]propane-1-sulfonamide
PubChem CID75461089
Molecular FormulaC12H22N4O3S
Molecular Weight302.40 g/mol
Exact Mass302.14
IUPAC NameN-[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NC1CCN(Cc2nnc(C)o2)CC1
InChIInChI=1S/C12H22N4O3S/c1-3-8-20(17,18)15-11-4-6-16(7-5-11)9-12-14-13-10(2)19-12/h11,15H,3-9H2,1-2H3
InChIKeyDGYSVRZLCNLEMI-UHFFFAOYSA-N
XLogP0.67
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]propane-1-sulfonamide?
The IUPAC name of N-[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]propane-1-sulfonamide (CID 75461089) is N-[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]propane-1-sulfonamide.
What is the SMILES notation for N-[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]propane-1-sulfonamide?
The canonical SMILES for N-[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]propane-1-sulfonamide is CCCS(=O)(=O)NC1CCN(Cc2nnc(C)o2)CC1.
What is the InChIKey of N-[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]propane-1-sulfonamide?
The InChIKey is DGYSVRZLCNLEMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O3S/c1-3-8-20(17,18)15-11-4-6-16(7-5-11)9-12-14-13-10(2)19-12/h11,15H,3-9H2,1-2H3.
What are the key properties of N-[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]propane-1-sulfonamide?
N-[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]propane-1-sulfonamide has a molecular weight of 302.40 g/mol, XLogP of 0.67, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]propane-1-sulfonamide is sourced from PubChem (CID 75461089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).