5-[4-(3,5-dimethylpiperidin-1-yl)sulfonyl-1,4-diazepan-1-yl]-3-methyl-1,2,4-thiadiazole

C15H27N5O2S2 — CID 75422564

IUPAC5-[4-(3,5-dimethylpiperidin-1-yl)sulfonyl-1,4-diazepan-1-yl]-3-methyl-1,2,4-thiadiazole
SMILESCc1nsc(N2CCCN(S(=O)(=O)N3CC(C)CC(C)C3)CC2)n1
InChIInChI=1S/C15H27N5O2S2/c1-12-9-13(2)11-20(10-12)24(21,22)19-6-4-5-18(7-8-19)15-16-14(3)17-23-15/h12-13H,4-11H2,1-3H3
InChIKeyZAJROQCEDSEYSW-UHFFFAOYSA-N
MW373.55 g/mol
LogP1.58
Rot. Bonds3

About 5-[4-(3,5-dimethylpiperidin-1-yl)sulfonyl-1,4-diazepan-1-yl]-3-methyl-1,2,4-thiadiazole

5-[4-(3,5-dimethylpiperidin-1-yl)sulfonyl-1,4-diazepan-1-yl]-3-methyl-1,2,4-thiadiazole (PubChem CID 75422564) has the molecular formula C15H27N5O2S2 and a molecular weight of 373.55 g/mol. Its IUPAC name is 5-[4-(3,5-dimethylpiperidin-1-yl)sulfonyl-1,4-diazepan-1-yl]-3-methyl-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-[4-(3,5-dimethylpiperidin-1-yl)sulfonyl-1,4-diazepan-1-yl]-3-methyl-1,2,4-thiadiazole
PubChem CID75422564
Molecular FormulaC15H27N5O2S2
Molecular Weight373.55 g/mol
Exact Mass373.16
IUPAC Name5-[4-(3,5-dimethylpiperidin-1-yl)sulfonyl-1,4-diazepan-1-yl]-3-methyl-1,2,4-thiadiazole
SMILESCc1nsc(N2CCCN(S(=O)(=O)N3CC(C)CC(C)C3)CC2)n1
InChIInChI=1S/C15H27N5O2S2/c1-12-9-13(2)11-20(10-12)24(21,22)19-6-4-5-18(7-8-19)15-16-14(3)17-23-15/h12-13H,4-11H2,1-3H3
InChIKeyZAJROQCEDSEYSW-UHFFFAOYSA-N
XLogP1.58
TPSA69.64 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.55
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(3,5-dimethylpiperidin-1-yl)sulfonyl-1,4-diazepan-1-yl]-3-methyl-1,2,4-thiadiazole?
The IUPAC name of 5-[4-(3,5-dimethylpiperidin-1-yl)sulfonyl-1,4-diazepan-1-yl]-3-methyl-1,2,4-thiadiazole (CID 75422564) is 5-[4-(3,5-dimethylpiperidin-1-yl)sulfonyl-1,4-diazepan-1-yl]-3-methyl-1,2,4-thiadiazole.
What is the SMILES notation for 5-[4-(3,5-dimethylpiperidin-1-yl)sulfonyl-1,4-diazepan-1-yl]-3-methyl-1,2,4-thiadiazole?
The canonical SMILES for 5-[4-(3,5-dimethylpiperidin-1-yl)sulfonyl-1,4-diazepan-1-yl]-3-methyl-1,2,4-thiadiazole is Cc1nsc(N2CCCN(S(=O)(=O)N3CC(C)CC(C)C3)CC2)n1.
What is the InChIKey of 5-[4-(3,5-dimethylpiperidin-1-yl)sulfonyl-1,4-diazepan-1-yl]-3-methyl-1,2,4-thiadiazole?
The InChIKey is ZAJROQCEDSEYSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N5O2S2/c1-12-9-13(2)11-20(10-12)24(21,22)19-6-4-5-18(7-8-19)15-16-14(3)17-23-15/h12-13H,4-11H2,1-3H3.
What are the key properties of 5-[4-(3,5-dimethylpiperidin-1-yl)sulfonyl-1,4-diazepan-1-yl]-3-methyl-1,2,4-thiadiazole?
5-[4-(3,5-dimethylpiperidin-1-yl)sulfonyl-1,4-diazepan-1-yl]-3-methyl-1,2,4-thiadiazole has a molecular weight of 373.55 g/mol, XLogP of 1.58, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(3,5-dimethylpiperidin-1-yl)sulfonyl-1,4-diazepan-1-yl]-3-methyl-1,2,4-thiadiazole is sourced from PubChem (CID 75422564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).