1,5-diazabicyclo[3.2.2]nonan-6-yl-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)piperidin-1-yl]methanone

C16H28N4O3S — CID 136538211

IUPAC1,5-diazabicyclo[3.2.2]nonan-6-yl-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)piperidin-1-yl]methanone
SMILESO=C(C1CN2CCCN1CC2)N1CCCC(N2CCCS2(=O)=O)C1
InChIInChI=1S/C16H28N4O3S/c21-16(15-13-17-5-2-7-18(15)10-9-17)19-6-1-4-14(12-19)20-8-3-11-24(20,22)23/h14-15H,1-13H2
InChIKeyHTZZXSNRGVRWQW-UHFFFAOYSA-N
MW356.49 g/mol
LogP-0.60
Rot. Bonds2

About 1,5-diazabicyclo[3.2.2]nonan-6-yl-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)piperidin-1-yl]methanone

1,5-diazabicyclo[3.2.2]nonan-6-yl-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)piperidin-1-yl]methanone (PubChem CID 136538211) has the molecular formula C16H28N4O3S and a molecular weight of 356.49 g/mol. Its IUPAC name is 1,5-diazabicyclo[3.2.2]nonan-6-yl-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name1,5-diazabicyclo[3.2.2]nonan-6-yl-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)piperidin-1-yl]methanone
PubChem CID136538211
Molecular FormulaC16H28N4O3S
Molecular Weight356.49 g/mol
Exact Mass356.19
IUPAC Name1,5-diazabicyclo[3.2.2]nonan-6-yl-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)piperidin-1-yl]methanone
SMILESO=C(C1CN2CCCN1CC2)N1CCCC(N2CCCS2(=O)=O)C1
InChIInChI=1S/C16H28N4O3S/c21-16(15-13-17-5-2-7-18(15)10-9-17)19-6-1-4-14(12-19)20-8-3-11-24(20,22)23/h14-15H,1-13H2
InChIKeyHTZZXSNRGVRWQW-UHFFFAOYSA-N
XLogP-0.60
TPSA64.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.49
LogP ≤ 5-0.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl (2S)-2-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)piperidine-1-carbonyl]pyrrolidine-1-carboxylate
CID 119039985
3,4-dihydro-2H-pyran-6-yl-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)piperidin-1-yl]methanone
CID 122139579
1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl(cyclopropyl)methanone
CID 49224332
1-benzofuran-3-yl-[(3R)-3-(1,1-dioxo-1,2-thiazolidin-2-yl)piperidin-1-yl]methanone
CID 124884002
1,5-diazabicyclo[3.2.2]nonan-6-yl-(4-ethylsulfonylpiperazin-1-yl)methanone
CID 136518705
3-(1,1-dioxo-1,2-thiazolidin-2-yl)cyclohexane-1-carboxylic acid
CID 63042627
1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl-[(2R)-piperidin-2-yl]methanone
CID 104913916
4-(1,1-dioxo-1,2-thiazolidin-2-yl)piperidine-1-carboxamide
CID 146082093
[3-(1,1-dioxo-1,2-thiazolidin-2-yl)piperidin-1-yl]-(3-propan-2-ylfuran-2-yl)methanone
CID 126800076
(5-chloro-6-ethoxy-3-pyridinyl)-[(3R)-3-(1,1-dioxo-1,2-thiazolidin-2-yl)piperidin-1-yl]methanone
CID 100732935
N-[(4-cyano-3-fluorophenyl)methyl]-3-(1,1-dioxo-1,2-thiazolidin-2-yl)piperidine-1-carboxamide
CID 128632274
1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl-(4-methoxypyrrolidin-2-yl)methanone
CID 63151335

Frequently Asked Questions

What is the IUPAC name of 1,5-diazabicyclo[3.2.2]nonan-6-yl-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)piperidin-1-yl]methanone?
The IUPAC name of 1,5-diazabicyclo[3.2.2]nonan-6-yl-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)piperidin-1-yl]methanone (CID 136538211) is 1,5-diazabicyclo[3.2.2]nonan-6-yl-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)piperidin-1-yl]methanone.
What is the SMILES notation for 1,5-diazabicyclo[3.2.2]nonan-6-yl-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)piperidin-1-yl]methanone?
The canonical SMILES for 1,5-diazabicyclo[3.2.2]nonan-6-yl-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)piperidin-1-yl]methanone is O=C(C1CN2CCCN1CC2)N1CCCC(N2CCCS2(=O)=O)C1.
What is the InChIKey of 1,5-diazabicyclo[3.2.2]nonan-6-yl-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)piperidin-1-yl]methanone?
The InChIKey is HTZZXSNRGVRWQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O3S/c21-16(15-13-17-5-2-7-18(15)10-9-17)19-6-1-4-14(12-19)20-8-3-11-24(20,22)23/h14-15H,1-13H2.
What are the key properties of 1,5-diazabicyclo[3.2.2]nonan-6-yl-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)piperidin-1-yl]methanone?
1,5-diazabicyclo[3.2.2]nonan-6-yl-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)piperidin-1-yl]methanone has a molecular weight of 356.49 g/mol, XLogP of -0.60, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-diazabicyclo[3.2.2]nonan-6-yl-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 136538211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).