(4-piperidin-1-ylsulfonylpiperidin-1-yl)-(thiadiazol-5-yl)methanone

C13H20N4O3S2 — CID 139019899

IUPAC(4-piperidin-1-ylsulfonylpiperidin-1-yl)-(thiadiazol-5-yl)methanone
SMILESO=C(c1cnns1)N1CCC(S(=O)(=O)N2CCCCC2)CC1
InChIInChI=1S/C13H20N4O3S2/c18-13(12-10-14-15-21-12)16-8-4-11(5-9-16)22(19,20)17-6-2-1-3-7-17/h10-11H,1-9H2
InChIKeyKHKXURCREBTTLP-UHFFFAOYSA-N
MW344.46 g/mol
LogP0.96
Rot. Bonds3

About (4-piperidin-1-ylsulfonylpiperidin-1-yl)-(thiadiazol-5-yl)methanone

(4-piperidin-1-ylsulfonylpiperidin-1-yl)-(thiadiazol-5-yl)methanone (PubChem CID 139019899) has the molecular formula C13H20N4O3S2 and a molecular weight of 344.46 g/mol. Its IUPAC name is (4-piperidin-1-ylsulfonylpiperidin-1-yl)-(thiadiazol-5-yl)methanone.

Molecular Properties

Compound Name(4-piperidin-1-ylsulfonylpiperidin-1-yl)-(thiadiazol-5-yl)methanone
PubChem CID139019899
Molecular FormulaC13H20N4O3S2
Molecular Weight344.46 g/mol
Exact Mass344.10
IUPAC Name(4-piperidin-1-ylsulfonylpiperidin-1-yl)-(thiadiazol-5-yl)methanone
SMILESO=C(c1cnns1)N1CCC(S(=O)(=O)N2CCCCC2)CC1
InChIInChI=1S/C13H20N4O3S2/c18-13(12-10-14-15-21-12)16-8-4-11(5-9-16)22(19,20)17-6-2-1-3-7-17/h10-11H,1-9H2
InChIKeyKHKXURCREBTTLP-UHFFFAOYSA-N
XLogP0.96
TPSA83.47 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 50.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (4-piperidin-1-ylsulfonylpiperidin-1-yl)-(thiadiazol-5-yl)methanone?
The IUPAC name of (4-piperidin-1-ylsulfonylpiperidin-1-yl)-(thiadiazol-5-yl)methanone (CID 139019899) is (4-piperidin-1-ylsulfonylpiperidin-1-yl)-(thiadiazol-5-yl)methanone.
What is the SMILES notation for (4-piperidin-1-ylsulfonylpiperidin-1-yl)-(thiadiazol-5-yl)methanone?
The canonical SMILES for (4-piperidin-1-ylsulfonylpiperidin-1-yl)-(thiadiazol-5-yl)methanone is O=C(c1cnns1)N1CCC(S(=O)(=O)N2CCCCC2)CC1.
What is the InChIKey of (4-piperidin-1-ylsulfonylpiperidin-1-yl)-(thiadiazol-5-yl)methanone?
The InChIKey is KHKXURCREBTTLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O3S2/c18-13(12-10-14-15-21-12)16-8-4-11(5-9-16)22(19,20)17-6-2-1-3-7-17/h10-11H,1-9H2.
What are the key properties of (4-piperidin-1-ylsulfonylpiperidin-1-yl)-(thiadiazol-5-yl)methanone?
(4-piperidin-1-ylsulfonylpiperidin-1-yl)-(thiadiazol-5-yl)methanone has a molecular weight of 344.46 g/mol, XLogP of 0.96, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-piperidin-1-ylsulfonylpiperidin-1-yl)-(thiadiazol-5-yl)methanone is sourced from PubChem (CID 139019899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).