[1-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]methanesulfonamide

C11H20N4O2S2 — CID 136514994

IUPAC[1-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]methanesulfonamide
SMILESCC(C)c1nnc(N2CCC(CS(N)(=O)=O)CC2)s1
InChIInChI=1S/C11H20N4O2S2/c1-8(2)10-13-14-11(18-10)15-5-3-9(4-6-15)7-19(12,16)17/h8-9H,3-7H2,1-2H3,(H2,12,16,17)
InChIKeyBCEQFFZXSCKCBD-UHFFFAOYSA-N
MW304.44 g/mol
LogP1.17
Rot. Bonds4

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

[1-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]methanesulfonamide (PubChem CID 136514994) has the molecular formula C11H20N4O2S2 and a molecular weight of 304.44 g/mol. Its IUPAC name is [1-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]methanesulfonamide.

Molecular Properties

Compound Name[1-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]methanesulfonamide
PubChem CID136514994
Molecular FormulaC11H20N4O2S2
Molecular Weight304.44 g/mol
Exact Mass304.10
IUPAC Name[1-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]methanesulfonamide
SMILESCC(C)c1nnc(N2CCC(CS(N)(=O)=O)CC2)s1
InChIInChI=1S/C11H20N4O2S2/c1-8(2)10-13-14-11(18-10)15-5-3-9(4-6-15)7-19(12,16)17/h8-9H,3-7H2,1-2H3,(H2,12,16,17)
InChIKeyBCEQFFZXSCKCBD-UHFFFAOYSA-N
XLogP1.17
TPSA89.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.44
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [1-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]methanesulfonamide?
The IUPAC name of [1-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]methanesulfonamide (CID 136514994) is [1-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]methanesulfonamide.
What is the SMILES notation for [1-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]methanesulfonamide?
The canonical SMILES for [1-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]methanesulfonamide is CC(C)c1nnc(N2CCC(CS(N)(=O)=O)CC2)s1.
What is the InChIKey of [1-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]methanesulfonamide?
The InChIKey is BCEQFFZXSCKCBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O2S2/c1-8(2)10-13-14-11(18-10)15-5-3-9(4-6-15)7-19(12,16)17/h8-9H,3-7H2,1-2H3,(H2,12,16,17).
What are the key properties of [1-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]methanesulfonamide?
[1-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]methanesulfonamide has a molecular weight of 304.44 g/mol, XLogP of 1.17, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]methanesulfonamide is sourced from PubChem (CID 136514994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).