7-methyl-2-(piperidin-2-ylmethyl)-1,2,5-thiadiazepane 1,1-dioxide

C11H23N3O2S — CID 115100885

IUPAC7-methyl-2-(piperidin-2-ylmethyl)-1,2,5-thiadiazepane 1,1-dioxide
SMILESCC1CNCCN(CC2CCCCN2)S1(=O)=O
InChIInChI=1S/C11H23N3O2S/c1-10-8-12-6-7-14(17(10,15)16)9-11-4-2-3-5-13-11/h10-13H,2-9H2,1H3
InChIKeyMXSKKQJWSUJJIK-UHFFFAOYSA-N
MW261.39 g/mol
LogP-0.25
Rot. Bonds2

About 7-methyl-2-(piperidin-2-ylmethyl)-1,2,5-thiadiazepane 1,1-dioxide

7-methyl-2-(piperidin-2-ylmethyl)-1,2,5-thiadiazepane 1,1-dioxide (PubChem CID 115100885) has the molecular formula C11H23N3O2S and a molecular weight of 261.39 g/mol. Its IUPAC name is 7-methyl-2-(piperidin-2-ylmethyl)-1,2,5-thiadiazepane 1,1-dioxide.

Molecular Properties

Compound Name7-methyl-2-(piperidin-2-ylmethyl)-1,2,5-thiadiazepane 1,1-dioxide
PubChem CID115100885
Molecular FormulaC11H23N3O2S
Molecular Weight261.39 g/mol
Exact Mass261.15
IUPAC Name7-methyl-2-(piperidin-2-ylmethyl)-1,2,5-thiadiazepane 1,1-dioxide
SMILESCC1CNCCN(CC2CCCCN2)S1(=O)=O
InChIInChI=1S/C11H23N3O2S/c1-10-8-12-6-7-14(17(10,15)16)9-11-4-2-3-5-13-11/h10-13H,2-9H2,1H3
InChIKeyMXSKKQJWSUJJIK-UHFFFAOYSA-N
XLogP-0.25
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.39
LogP ≤ 5-0.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-2-(piperidin-2-ylmethyl)-1,2,5-thiadiazepane 1,1-dioxide?
The IUPAC name of 7-methyl-2-(piperidin-2-ylmethyl)-1,2,5-thiadiazepane 1,1-dioxide (CID 115100885) is 7-methyl-2-(piperidin-2-ylmethyl)-1,2,5-thiadiazepane 1,1-dioxide.
What is the SMILES notation for 7-methyl-2-(piperidin-2-ylmethyl)-1,2,5-thiadiazepane 1,1-dioxide?
The canonical SMILES for 7-methyl-2-(piperidin-2-ylmethyl)-1,2,5-thiadiazepane 1,1-dioxide is CC1CNCCN(CC2CCCCN2)S1(=O)=O.
What is the InChIKey of 7-methyl-2-(piperidin-2-ylmethyl)-1,2,5-thiadiazepane 1,1-dioxide?
The InChIKey is MXSKKQJWSUJJIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O2S/c1-10-8-12-6-7-14(17(10,15)16)9-11-4-2-3-5-13-11/h10-13H,2-9H2,1H3.
What are the key properties of 7-methyl-2-(piperidin-2-ylmethyl)-1,2,5-thiadiazepane 1,1-dioxide?
7-methyl-2-(piperidin-2-ylmethyl)-1,2,5-thiadiazepane 1,1-dioxide has a molecular weight of 261.39 g/mol, XLogP of -0.25, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-2-(piperidin-2-ylmethyl)-1,2,5-thiadiazepane 1,1-dioxide is sourced from PubChem (CID 115100885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).