2-[(1-benzylpiperidin-3-yl)methyl]-1,2,5-thiadiazolidine 1,1-dioxide

C15H23N3O2S — CID 56658397

IUPAC2-[(1-benzylpiperidin-3-yl)methyl]-1,2,5-thiadiazolidine 1,1-dioxide
SMILESO=S1(=O)NCCN1CC1CCCN(Cc2ccccc2)C1
InChIInChI=1S/C15H23N3O2S/c19-21(20)16-8-10-18(21)13-15-7-4-9-17(12-15)11-14-5-2-1-3-6-14/h1-3,5-6,15-16H,4,7-13H2
InChIKeyRLQKQEJIMTUAPD-UHFFFAOYSA-N
MW309.43 g/mol
LogP1.05
Rot. Bonds4

About 2-[(1-benzylpiperidin-3-yl)methyl]-1,2,5-thiadiazolidine 1,1-dioxide

2-[(1-benzylpiperidin-3-yl)methyl]-1,2,5-thiadiazolidine 1,1-dioxide (PubChem CID 56658397) has the molecular formula C15H23N3O2S and a molecular weight of 309.43 g/mol. Its IUPAC name is 2-[(1-benzylpiperidin-3-yl)methyl]-1,2,5-thiadiazolidine 1,1-dioxide.

Molecular Properties

Compound Name2-[(1-benzylpiperidin-3-yl)methyl]-1,2,5-thiadiazolidine 1,1-dioxide
PubChem CID56658397
Molecular FormulaC15H23N3O2S
Molecular Weight309.43 g/mol
Exact Mass309.15
IUPAC Name2-[(1-benzylpiperidin-3-yl)methyl]-1,2,5-thiadiazolidine 1,1-dioxide
SMILESO=S1(=O)NCCN1CC1CCCN(Cc2ccccc2)C1
InChIInChI=1S/C15H23N3O2S/c19-21(20)16-8-10-18(21)13-15-7-4-9-17(12-15)11-14-5-2-1-3-6-14/h1-3,5-6,15-16H,4,7-13H2
InChIKeyRLQKQEJIMTUAPD-UHFFFAOYSA-N
XLogP1.05
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.43
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(1-benzylpiperidin-3-yl)methyl]-1,2,5-thiadiazolidine 1,1-dioxide?
The IUPAC name of 2-[(1-benzylpiperidin-3-yl)methyl]-1,2,5-thiadiazolidine 1,1-dioxide (CID 56658397) is 2-[(1-benzylpiperidin-3-yl)methyl]-1,2,5-thiadiazolidine 1,1-dioxide.
What is the SMILES notation for 2-[(1-benzylpiperidin-3-yl)methyl]-1,2,5-thiadiazolidine 1,1-dioxide?
The canonical SMILES for 2-[(1-benzylpiperidin-3-yl)methyl]-1,2,5-thiadiazolidine 1,1-dioxide is O=S1(=O)NCCN1CC1CCCN(Cc2ccccc2)C1.
What is the InChIKey of 2-[(1-benzylpiperidin-3-yl)methyl]-1,2,5-thiadiazolidine 1,1-dioxide?
The InChIKey is RLQKQEJIMTUAPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2S/c19-21(20)16-8-10-18(21)13-15-7-4-9-17(12-15)11-14-5-2-1-3-6-14/h1-3,5-6,15-16H,4,7-13H2.
What are the key properties of 2-[(1-benzylpiperidin-3-yl)methyl]-1,2,5-thiadiazolidine 1,1-dioxide?
2-[(1-benzylpiperidin-3-yl)methyl]-1,2,5-thiadiazolidine 1,1-dioxide has a molecular weight of 309.43 g/mol, XLogP of 1.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-benzylpiperidin-3-yl)methyl]-1,2,5-thiadiazolidine 1,1-dioxide is sourced from PubChem (CID 56658397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).