2-[2,2-dioxo-1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]-4H-2lambda6,1,3-benzothiadiazin-3-yl]ethanol

C23H37N3O3S — CID 10137876

IUPAC2-[2,2-dioxo-1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]-4H-2lambda6,1,3-benzothiadiazin-3-yl]ethanol
SMILESCC(C)C1CCC(N2CCC(N3c4ccccc4CN(CCO)S3(=O)=O)CC2)CC1
InChIInChI=1S/C23H37N3O3S/c1-18(2)19-7-9-21(10-8-19)24-13-11-22(12-14-24)26-23-6-4-3-5-20(23)17-25(15-16-27)30(26,28)29/h3-6,18-19,21-22,27H,7-17H2,1-2H3
InChIKeyAEXLHDOOHWXDNZ-UHFFFAOYSA-N
MW435.63 g/mol
LogP3.22
Rot. Bonds5

About 2-[2,2-dioxo-1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]-4H-2lambda6,1,3-benzothiadiazin-3-yl]ethanol

2-[2,2-dioxo-1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]-4H-2lambda6,1,3-benzothiadiazin-3-yl]ethanol (PubChem CID 10137876) has the molecular formula C23H37N3O3S and a molecular weight of 435.63 g/mol. Its IUPAC name is 2-[2,2-dioxo-1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]-4H-2lambda6,1,3-benzothiadiazin-3-yl]ethanol.

Molecular Properties

Compound Name2-[2,2-dioxo-1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]-4H-2lambda6,1,3-benzothiadiazin-3-yl]ethanol
PubChem CID10137876
Molecular FormulaC23H37N3O3S
Molecular Weight435.63 g/mol
Exact Mass435.26
IUPAC Name2-[2,2-dioxo-1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]-4H-2lambda6,1,3-benzothiadiazin-3-yl]ethanol
SMILESCC(C)C1CCC(N2CCC(N3c4ccccc4CN(CCO)S3(=O)=O)CC2)CC1
InChIInChI=1S/C23H37N3O3S/c1-18(2)19-7-9-21(10-8-19)24-13-11-22(12-14-24)26-23-6-4-3-5-20(23)17-25(15-16-27)30(26,28)29/h3-6,18-19,21-22,27H,7-17H2,1-2H3
InChIKeyAEXLHDOOHWXDNZ-UHFFFAOYSA-N
XLogP3.22
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.63
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[2,2-dioxo-1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]-4H-2lambda6,1,3-benzothiadiazin-3-yl]ethanol with MolForge

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Related Compounds

methyl 2-[2,2-dioxo-1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]-4H-2lambda6,1,3-benzothiadiazin-3-yl]acetate
CID 10139672
3-butyl-1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]-4H-2lambda6,1,3-benzothiadiazine 2,2-dioxide
CID 10160920
2-[2,2-dioxo-1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]-4H-2lambda6,1,3-benzothiadiazin-3-yl]acetonitrile
CID 10274330
1-[1-(4-Isopropyl-cyclohexyl)-piperidin-4-yl]-3,4-dihydro-1H-benzo[1,2,6]thiadiazine 2,2-dioxide
CID 10385808
1-[1-(4-Propylcyclohexyl)piperidin-4-yl]-3,4-dihydro-2lambda6,1,3-benzothiadiazine 2,2-dioxide
CID 44394283
1-[1-(1,2,3,4,4a,5,6,7,8,8a-Decahydronaphthalen-2-yl)piperidin-4-yl]-3,4-dihydro-2lambda6,1,3-benzothiadiazine 2,2-dioxide
CID 44394324
1-[1-(3,3-Diphenylpropyl)piperidin-4-yl]-3,4-dihydro-2lambda6,1,3-benzothiadiazine 2,2-dioxide
CID 44394375
2-[2,2-dioxo-1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]-4H-2lambda6,1,3-benzothiadiazin-3-yl]acetamide
CID 44394381
tert-butyl 2-[2,2-dioxo-1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]-4H-2lambda6,1,3-benzothiadiazin-3-yl]acetate
CID 44394405
4-(10-methyl-9H-acridin-9-yl)morpholine
CID 137649760
N-[(4-tert-butylphenyl)methyl]-N-methyl-6-morpholin-4-yl-3,4-dihydro-2H-quinoline-1-sulfonamide
CID 162660429
1-(3,4-dihydro-1(2H)-quinolinyl)-3-(3-methyl-1-piperidinyl)-2-propanol
CID 247530

Frequently Asked Questions

What is the IUPAC name of 2-[2,2-dioxo-1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]-4H-2lambda6,1,3-benzothiadiazin-3-yl]ethanol?
The IUPAC name of 2-[2,2-dioxo-1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]-4H-2lambda6,1,3-benzothiadiazin-3-yl]ethanol (CID 10137876) is 2-[2,2-dioxo-1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]-4H-2lambda6,1,3-benzothiadiazin-3-yl]ethanol.
What is the SMILES notation for 2-[2,2-dioxo-1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]-4H-2lambda6,1,3-benzothiadiazin-3-yl]ethanol?
The canonical SMILES for 2-[2,2-dioxo-1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]-4H-2lambda6,1,3-benzothiadiazin-3-yl]ethanol is CC(C)C1CCC(N2CCC(N3c4ccccc4CN(CCO)S3(=O)=O)CC2)CC1.
What is the InChIKey of 2-[2,2-dioxo-1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]-4H-2lambda6,1,3-benzothiadiazin-3-yl]ethanol?
The InChIKey is AEXLHDOOHWXDNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H37N3O3S/c1-18(2)19-7-9-21(10-8-19)24-13-11-22(12-14-24)26-23-6-4-3-5-20(23)17-25(15-16-27)30(26,28)29/h3-6,18-19,21-22,27H,7-17H2,1-2H3.
What are the key properties of 2-[2,2-dioxo-1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]-4H-2lambda6,1,3-benzothiadiazin-3-yl]ethanol?
2-[2,2-dioxo-1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]-4H-2lambda6,1,3-benzothiadiazin-3-yl]ethanol has a molecular weight of 435.63 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,2-dioxo-1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]-4H-2lambda6,1,3-benzothiadiazin-3-yl]ethanol is sourced from PubChem (CID 10137876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).