1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]-3,4-dihydro-2lambda6,1,3-benzothiadiazine 2,2-dioxide

C21H33N3O2S — CID 10385808

IUPAC1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]-3,4-dihydro-2lambda6,1,3-benzothiadiazine 2,2-dioxide
SMILESCC(C)C1CCC(N2CCC(N3c4ccccc4CNS3(=O)=O)CC2)CC1
InChIInChI=1S/C21H33N3O2S/c1-16(2)17-7-9-19(10-8-17)23-13-11-20(12-14-23)24-21-6-4-3-5-18(21)15-22-27(24,25)26/h3-6,16-17,19-20,22H,7-15H2,1-2H3
InChIKeyBRTLZXPFXVSRKG-UHFFFAOYSA-N
MW391.58 g/mol
LogP3.52
Rot. Bonds3

About 1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]-3,4-dihydro-2lambda6,1,3-benzothiadiazine 2,2-dioxide

1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]-3,4-dihydro-2lambda6,1,3-benzothiadiazine 2,2-dioxide (PubChem CID 10385808) has the molecular formula C21H33N3O2S and a molecular weight of 391.58 g/mol. Its IUPAC name is 1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]-3,4-dihydro-2lambda6,1,3-benzothiadiazine 2,2-dioxide.

Molecular Properties

Compound Name1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]-3,4-dihydro-2lambda6,1,3-benzothiadiazine 2,2-dioxide
PubChem CID10385808
Molecular FormulaC21H33N3O2S
Molecular Weight391.58 g/mol
Exact Mass391.23
IUPAC Name1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]-3,4-dihydro-2lambda6,1,3-benzothiadiazine 2,2-dioxide
SMILESCC(C)C1CCC(N2CCC(N3c4ccccc4CNS3(=O)=O)CC2)CC1
InChIInChI=1S/C21H33N3O2S/c1-16(2)17-7-9-19(10-8-17)23-13-11-20(12-14-23)24-21-6-4-3-5-18(21)15-22-27(24,25)26/h3-6,16-17,19-20,22H,7-15H2,1-2H3
InChIKeyBRTLZXPFXVSRKG-UHFFFAOYSA-N
XLogP3.52
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.58
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]-3,4-dihydro-2lambda6,1,3-benzothiadiazine 2,2-dioxide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]-3,4-dihydro-2lambda6,1,3-benzothiadiazine 2,2-dioxide?
The IUPAC name of 1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]-3,4-dihydro-2lambda6,1,3-benzothiadiazine 2,2-dioxide (CID 10385808) is 1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]-3,4-dihydro-2lambda6,1,3-benzothiadiazine 2,2-dioxide.
What is the SMILES notation for 1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]-3,4-dihydro-2lambda6,1,3-benzothiadiazine 2,2-dioxide?
The canonical SMILES for 1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]-3,4-dihydro-2lambda6,1,3-benzothiadiazine 2,2-dioxide is CC(C)C1CCC(N2CCC(N3c4ccccc4CNS3(=O)=O)CC2)CC1.
What is the InChIKey of 1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]-3,4-dihydro-2lambda6,1,3-benzothiadiazine 2,2-dioxide?
The InChIKey is BRTLZXPFXVSRKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N3O2S/c1-16(2)17-7-9-19(10-8-17)23-13-11-20(12-14-23)24-21-6-4-3-5-18(21)15-22-27(24,25)26/h3-6,16-17,19-20,22H,7-15H2,1-2H3.
What are the key properties of 1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]-3,4-dihydro-2lambda6,1,3-benzothiadiazine 2,2-dioxide?
1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]-3,4-dihydro-2lambda6,1,3-benzothiadiazine 2,2-dioxide has a molecular weight of 391.58 g/mol, XLogP of 3.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]-3,4-dihydro-2lambda6,1,3-benzothiadiazine 2,2-dioxide is sourced from PubChem (CID 10385808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).