azepan-1-yl-[(3R,5S)-5-(furan-2-yl)-2-methyl-1,1-dioxo-1,2,6-thiadiazinan-3-yl]methanone

C15H23N3O4S — CID 16670788

IUPACazepan-1-yl-[(3R,5S)-5-(furan-2-yl)-2-methyl-1,1-dioxo-1,2,6-thiadiazinan-3-yl]methanone
SMILESCN1[C@@H](C(=O)N2CCCCCC2)C[C@@H](c2ccco2)NS1(=O)=O
InChIInChI=1S/C15H23N3O4S/c1-17-13(15(19)18-8-4-2-3-5-9-18)11-12(16-23(17,20)21)14-7-6-10-22-14/h6-7,10,12-13,16H,2-5,8-9,11H2,1H3/t12-,13+/m0/s1
InChIKeyIKYRSTFYKMEJQA-QWHCGFSZSA-N
MW341.43 g/mol
LogP1.26
Rot. Bonds2

About azepan-1-yl-[(3R,5S)-5-(furan-2-yl)-2-methyl-1,1-dioxo-1,2,6-thiadiazinan-3-yl]methanone

azepan-1-yl-[(3R,5S)-5-(furan-2-yl)-2-methyl-1,1-dioxo-1,2,6-thiadiazinan-3-yl]methanone (PubChem CID 16670788) has the molecular formula C15H23N3O4S and a molecular weight of 341.43 g/mol. Its IUPAC name is azepan-1-yl-[(3R,5S)-5-(furan-2-yl)-2-methyl-1,1-dioxo-1,2,6-thiadiazinan-3-yl]methanone.

Molecular Properties

Compound Nameazepan-1-yl-[(3R,5S)-5-(furan-2-yl)-2-methyl-1,1-dioxo-1,2,6-thiadiazinan-3-yl]methanone
PubChem CID16670788
Molecular FormulaC15H23N3O4S
Molecular Weight341.43 g/mol
Exact Mass341.14
IUPAC Nameazepan-1-yl-[(3R,5S)-5-(furan-2-yl)-2-methyl-1,1-dioxo-1,2,6-thiadiazinan-3-yl]methanone
SMILESCN1[C@@H](C(=O)N2CCCCCC2)C[C@@H](c2ccco2)NS1(=O)=O
InChIInChI=1S/C15H23N3O4S/c1-17-13(15(19)18-8-4-2-3-5-9-18)11-12(16-23(17,20)21)14-7-6-10-22-14/h6-7,10,12-13,16H,2-5,8-9,11H2,1H3/t12-,13+/m0/s1
InChIKeyIKYRSTFYKMEJQA-QWHCGFSZSA-N
XLogP1.26
TPSA82.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.43
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze azepan-1-yl-[(3R,5S)-5-(furan-2-yl)-2-methyl-1,1-dioxo-1,2,6-thiadiazinan-3-yl]methanone with MolForge

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

Launch Full Analysis

Related Compounds

(2,6-dimethylpiperidin-1-yl)-[(3R,5S)-5-(furan-2-yl)-2-methyl-1,1-dioxo-1,2,6-thiadiazinan-3-yl]methanone
CID 126468134
[(2R)-2-ethylpiperidin-1-yl]-[(3R,5S)-5-(furan-2-yl)-2-methyl-1,1-dioxo-1,2,6-thiadiazinan-3-yl]methanone
CID 95797686
(3R,5S)-5-(furan-2-yl)-2-methyl-1,1-dioxo-N-(pyridin-2-ylmethyl)-1,2,6-thiadiazinane-3-carboxamide
CID 16670792
1-[(3R,5S)-2-methyl-1,1-dioxo-5-thiophen-2-yl-1,2,6-thiadiazinane-3-carbonyl]piperidine-4-carboxamide
CID 6549822
(3R,5S)-N-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]-5-(furan-2-yl)-2-methyl-1,1-dioxo-1,2,6-thiadiazinane-3-carboxamide
CID 46950438
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[(3R,5S)-5-(4-fluorophenyl)-2-methyl-1,1-dioxo-1,2,6-thiadiazinan-3-yl]methanone
CID 16670992
[(3R,5S)-5-(3-methoxyphenyl)-2-methyl-1,1-dioxo-1,2,6-thiadiazinan-3-yl]-(4-methylpiperidin-1-yl)methanone
CID 95196534
[1-[(1R,2S)-2-(furan-2-yl)cyclopropanecarbonyl]piperidin-4-yl]-piperidin-1-ylmethanone
CID 95179871
[1-[2-(furan-2-yl)cyclopropanecarbonyl]piperidin-4-yl]-piperidin-1-ylmethanone
CID 75417680
[(3R)-1-[(1S,2R)-2-(furan-2-yl)cyclopropanecarbonyl]piperidin-3-yl]-piperidin-1-ylmethanone
CID 99845766
aziridin-1-yl-[2-(furan-2-yl)cyclopropyl]methanone
CID 130606481
[(2S)-2-(furan-2-yl)azepan-1-yl]-pyrrolidin-1-ylmethanone
CID 95728453

Frequently Asked Questions

What is the IUPAC name of azepan-1-yl-[(3R,5S)-5-(furan-2-yl)-2-methyl-1,1-dioxo-1,2,6-thiadiazinan-3-yl]methanone?
The IUPAC name of azepan-1-yl-[(3R,5S)-5-(furan-2-yl)-2-methyl-1,1-dioxo-1,2,6-thiadiazinan-3-yl]methanone (CID 16670788) is azepan-1-yl-[(3R,5S)-5-(furan-2-yl)-2-methyl-1,1-dioxo-1,2,6-thiadiazinan-3-yl]methanone.
What is the SMILES notation for azepan-1-yl-[(3R,5S)-5-(furan-2-yl)-2-methyl-1,1-dioxo-1,2,6-thiadiazinan-3-yl]methanone?
The canonical SMILES for azepan-1-yl-[(3R,5S)-5-(furan-2-yl)-2-methyl-1,1-dioxo-1,2,6-thiadiazinan-3-yl]methanone is CN1[C@@H](C(=O)N2CCCCCC2)C[C@@H](c2ccco2)NS1(=O)=O.
What is the InChIKey of azepan-1-yl-[(3R,5S)-5-(furan-2-yl)-2-methyl-1,1-dioxo-1,2,6-thiadiazinan-3-yl]methanone?
The InChIKey is IKYRSTFYKMEJQA-QWHCGFSZSA-N. The full InChI is InChI=1S/C15H23N3O4S/c1-17-13(15(19)18-8-4-2-3-5-9-18)11-12(16-23(17,20)21)14-7-6-10-22-14/h6-7,10,12-13,16H,2-5,8-9,11H2,1H3/t12-,13+/m0/s1.
What are the key properties of azepan-1-yl-[(3R,5S)-5-(furan-2-yl)-2-methyl-1,1-dioxo-1,2,6-thiadiazinan-3-yl]methanone?
azepan-1-yl-[(3R,5S)-5-(furan-2-yl)-2-methyl-1,1-dioxo-1,2,6-thiadiazinan-3-yl]methanone has a molecular weight of 341.43 g/mol, XLogP of 1.26, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for azepan-1-yl-[(3R,5S)-5-(furan-2-yl)-2-methyl-1,1-dioxo-1,2,6-thiadiazinan-3-yl]methanone is sourced from PubChem (CID 16670788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).