7,7-dimethyl-2-(piperidin-4-ylmethyl)-1,2,5-thiadiazepane 1,1-dioxide

C12H25N3O2S — CID 115101135

IUPAC7,7-dimethyl-2-(piperidin-4-ylmethyl)-1,2,5-thiadiazepane 1,1-dioxide
SMILESCC1(C)CNCCN(CC2CCNCC2)S1(=O)=O
InChIInChI=1S/C12H25N3O2S/c1-12(2)10-14-7-8-15(18(12,16)17)9-11-3-5-13-6-4-11/h11,13-14H,3-10H2,1-2H3
InChIKeyLDLDVWYDPWAVSA-UHFFFAOYSA-N
MW275.42 g/mol
LogP-0.00
Rot. Bonds2

About 7,7-dimethyl-2-(piperidin-4-ylmethyl)-1,2,5-thiadiazepane 1,1-dioxide

7,7-dimethyl-2-(piperidin-4-ylmethyl)-1,2,5-thiadiazepane 1,1-dioxide (PubChem CID 115101135) has the molecular formula C12H25N3O2S and a molecular weight of 275.42 g/mol. Its IUPAC name is 7,7-dimethyl-2-(piperidin-4-ylmethyl)-1,2,5-thiadiazepane 1,1-dioxide.

Molecular Properties

Compound Name7,7-dimethyl-2-(piperidin-4-ylmethyl)-1,2,5-thiadiazepane 1,1-dioxide
PubChem CID115101135
Molecular FormulaC12H25N3O2S
Molecular Weight275.42 g/mol
Exact Mass275.17
IUPAC Name7,7-dimethyl-2-(piperidin-4-ylmethyl)-1,2,5-thiadiazepane 1,1-dioxide
SMILESCC1(C)CNCCN(CC2CCNCC2)S1(=O)=O
InChIInChI=1S/C12H25N3O2S/c1-12(2)10-14-7-8-15(18(12,16)17)9-11-3-5-13-6-4-11/h11,13-14H,3-10H2,1-2H3
InChIKeyLDLDVWYDPWAVSA-UHFFFAOYSA-N
XLogP-0.00
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.42
LogP ≤ 5-0.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7,7-dimethyl-2-(piperidin-4-ylmethyl)-1,2,5-thiadiazepane 1,1-dioxide?
The IUPAC name of 7,7-dimethyl-2-(piperidin-4-ylmethyl)-1,2,5-thiadiazepane 1,1-dioxide (CID 115101135) is 7,7-dimethyl-2-(piperidin-4-ylmethyl)-1,2,5-thiadiazepane 1,1-dioxide.
What is the SMILES notation for 7,7-dimethyl-2-(piperidin-4-ylmethyl)-1,2,5-thiadiazepane 1,1-dioxide?
The canonical SMILES for 7,7-dimethyl-2-(piperidin-4-ylmethyl)-1,2,5-thiadiazepane 1,1-dioxide is CC1(C)CNCCN(CC2CCNCC2)S1(=O)=O.
What is the InChIKey of 7,7-dimethyl-2-(piperidin-4-ylmethyl)-1,2,5-thiadiazepane 1,1-dioxide?
The InChIKey is LDLDVWYDPWAVSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O2S/c1-12(2)10-14-7-8-15(18(12,16)17)9-11-3-5-13-6-4-11/h11,13-14H,3-10H2,1-2H3.
What are the key properties of 7,7-dimethyl-2-(piperidin-4-ylmethyl)-1,2,5-thiadiazepane 1,1-dioxide?
7,7-dimethyl-2-(piperidin-4-ylmethyl)-1,2,5-thiadiazepane 1,1-dioxide has a molecular weight of 275.42 g/mol, XLogP of -0.00, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dimethyl-2-(piperidin-4-ylmethyl)-1,2,5-thiadiazepane 1,1-dioxide is sourced from PubChem (CID 115101135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).