N-[1-(5-tert-butyl-1,3,4-thiadiazol-2-yl)piperidin-3-yl]methanesulfonamide

C12H22N4O2S2 — CID 86802983

IUPACN-[1-(5-tert-butyl-1,3,4-thiadiazol-2-yl)piperidin-3-yl]methanesulfonamide
SMILESCC(C)(C)c1nnc(N2CCCC(NS(C)(=O)=O)C2)s1
InChIInChI=1S/C12H22N4O2S2/c1-12(2,3)10-13-14-11(19-10)16-7-5-6-9(8-16)15-20(4,17)18/h9,15H,5-8H2,1-4H3
InChIKeyPNDZYBMOQZVHIJ-UHFFFAOYSA-N
MW318.47 g/mol
LogP1.35
Rot. Bonds3

About N-[1-(5-tert-butyl-1,3,4-thiadiazol-2-yl)piperidin-3-yl]methanesulfonamide

N-[1-(5-tert-butyl-1,3,4-thiadiazol-2-yl)piperidin-3-yl]methanesulfonamide (PubChem CID 86802983) has the molecular formula C12H22N4O2S2 and a molecular weight of 318.47 g/mol. Its IUPAC name is N-[1-(5-tert-butyl-1,3,4-thiadiazol-2-yl)piperidin-3-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-(5-tert-butyl-1,3,4-thiadiazol-2-yl)piperidin-3-yl]methanesulfonamide
PubChem CID86802983
Molecular FormulaC12H22N4O2S2
Molecular Weight318.47 g/mol
Exact Mass318.12
IUPAC NameN-[1-(5-tert-butyl-1,3,4-thiadiazol-2-yl)piperidin-3-yl]methanesulfonamide
SMILESCC(C)(C)c1nnc(N2CCCC(NS(C)(=O)=O)C2)s1
InChIInChI=1S/C12H22N4O2S2/c1-12(2,3)10-13-14-11(19-10)16-7-5-6-9(8-16)15-20(4,17)18/h9,15H,5-8H2,1-4H3
InChIKeyPNDZYBMOQZVHIJ-UHFFFAOYSA-N
XLogP1.35
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.47
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-(5-tert-butyl-1,3,4-thiadiazol-2-yl)piperidin-3-yl]methanesulfonamide?
The IUPAC name of N-[1-(5-tert-butyl-1,3,4-thiadiazol-2-yl)piperidin-3-yl]methanesulfonamide (CID 86802983) is N-[1-(5-tert-butyl-1,3,4-thiadiazol-2-yl)piperidin-3-yl]methanesulfonamide.
What is the SMILES notation for N-[1-(5-tert-butyl-1,3,4-thiadiazol-2-yl)piperidin-3-yl]methanesulfonamide?
The canonical SMILES for N-[1-(5-tert-butyl-1,3,4-thiadiazol-2-yl)piperidin-3-yl]methanesulfonamide is CC(C)(C)c1nnc(N2CCCC(NS(C)(=O)=O)C2)s1.
What is the InChIKey of N-[1-(5-tert-butyl-1,3,4-thiadiazol-2-yl)piperidin-3-yl]methanesulfonamide?
The InChIKey is PNDZYBMOQZVHIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O2S2/c1-12(2,3)10-13-14-11(19-10)16-7-5-6-9(8-16)15-20(4,17)18/h9,15H,5-8H2,1-4H3.
What are the key properties of N-[1-(5-tert-butyl-1,3,4-thiadiazol-2-yl)piperidin-3-yl]methanesulfonamide?
N-[1-(5-tert-butyl-1,3,4-thiadiazol-2-yl)piperidin-3-yl]methanesulfonamide has a molecular weight of 318.47 g/mol, XLogP of 1.35, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-tert-butyl-1,3,4-thiadiazol-2-yl)piperidin-3-yl]methanesulfonamide is sourced from PubChem (CID 86802983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).