4-[4-[1-[3-(dimethylamino)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]piperidin-1-yl]benzenesulfonamide

C20H30N6O2S2 — CID 59178844

IUPAC4-[4-[1-[3-(dimethylamino)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]piperidin-1-yl]benzenesulfonamide
SMILESCN(C)c1nsc(N2CCC(C3CCN(c4ccc(S(N)(=O)=O)cc4)CC3)CC2)n1
InChIInChI=1S/C20H30N6O2S2/c1-24(2)19-22-20(29-23-19)26-13-9-16(10-14-26)15-7-11-25(12-8-15)17-3-5-18(6-4-17)30(21,27)28/h3-6,15-16H,7-14H2,1-2H3,(H2,21,27,28)
InChIKeyYDYNZYVGYVZDKC-UHFFFAOYSA-N
MW450.63 g/mol
LogP2.38
Rot. Bonds5

About 4-[4-[1-[3-(dimethylamino)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]piperidin-1-yl]benzenesulfonamide

4-[4-[1-[3-(dimethylamino)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]piperidin-1-yl]benzenesulfonamide (PubChem CID 59178844) has the molecular formula C20H30N6O2S2 and a molecular weight of 450.63 g/mol. Its IUPAC name is 4-[4-[1-[3-(dimethylamino)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]piperidin-1-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[4-[1-[3-(dimethylamino)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]piperidin-1-yl]benzenesulfonamide
PubChem CID59178844
Molecular FormulaC20H30N6O2S2
Molecular Weight450.63 g/mol
Exact Mass450.19
IUPAC Name4-[4-[1-[3-(dimethylamino)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]piperidin-1-yl]benzenesulfonamide
SMILESCN(C)c1nsc(N2CCC(C3CCN(c4ccc(S(N)(=O)=O)cc4)CC3)CC2)n1
InChIInChI=1S/C20H30N6O2S2/c1-24(2)19-22-20(29-23-19)26-13-9-16(10-14-26)15-7-11-25(12-8-15)17-3-5-18(6-4-17)30(21,27)28/h3-6,15-16H,7-14H2,1-2H3,(H2,21,27,28)
InChIKeyYDYNZYVGYVZDKC-UHFFFAOYSA-N
XLogP2.38
TPSA95.66 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.63
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[1-[3-(dimethylamino)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]piperidin-1-yl]benzenesulfonamide?
The IUPAC name of 4-[4-[1-[3-(dimethylamino)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]piperidin-1-yl]benzenesulfonamide (CID 59178844) is 4-[4-[1-[3-(dimethylamino)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]piperidin-1-yl]benzenesulfonamide.
What is the SMILES notation for 4-[4-[1-[3-(dimethylamino)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]piperidin-1-yl]benzenesulfonamide?
The canonical SMILES for 4-[4-[1-[3-(dimethylamino)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]piperidin-1-yl]benzenesulfonamide is CN(C)c1nsc(N2CCC(C3CCN(c4ccc(S(N)(=O)=O)cc4)CC3)CC2)n1.
What is the InChIKey of 4-[4-[1-[3-(dimethylamino)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]piperidin-1-yl]benzenesulfonamide?
The InChIKey is YDYNZYVGYVZDKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N6O2S2/c1-24(2)19-22-20(29-23-19)26-13-9-16(10-14-26)15-7-11-25(12-8-15)17-3-5-18(6-4-17)30(21,27)28/h3-6,15-16H,7-14H2,1-2H3,(H2,21,27,28).
What are the key properties of 4-[4-[1-[3-(dimethylamino)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]piperidin-1-yl]benzenesulfonamide?
4-[4-[1-[3-(dimethylamino)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]piperidin-1-yl]benzenesulfonamide has a molecular weight of 450.63 g/mol, XLogP of 2.38, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[1-[3-(dimethylamino)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]piperidin-1-yl]benzenesulfonamide is sourced from PubChem (CID 59178844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).