furan-3-yl-[(3S)-3-methyl-1,1-dioxo-1,4-thiazinan-4-yl]methanone

C10H13NO4S — CID 99816902

IUPACfuran-3-yl-[(3S)-3-methyl-1,1-dioxo-1,4-thiazinan-4-yl]methanone
SMILESC[C@H]1CS(=O)(=O)CCN1C(=O)c1ccoc1
InChIInChI=1S/C10H13NO4S/c1-8-7-16(13,14)5-3-11(8)10(12)9-2-4-15-6-9/h2,4,6,8H,3,5,7H2,1H3/t8-/m0/s1
InChIKeyMRLNISSBMNPRLI-QMMMGPOBSA-N
MW243.28 g/mol
LogP0.54
Rot. Bonds1

About furan-3-yl-[(3S)-3-methyl-1,1-dioxo-1,4-thiazinan-4-yl]methanone

furan-3-yl-[(3S)-3-methyl-1,1-dioxo-1,4-thiazinan-4-yl]methanone (PubChem CID 99816902) has the molecular formula C10H13NO4S and a molecular weight of 243.28 g/mol. Its IUPAC name is furan-3-yl-[(3S)-3-methyl-1,1-dioxo-1,4-thiazinan-4-yl]methanone.

Molecular Properties

Compound Namefuran-3-yl-[(3S)-3-methyl-1,1-dioxo-1,4-thiazinan-4-yl]methanone
PubChem CID99816902
Molecular FormulaC10H13NO4S
Molecular Weight243.28 g/mol
Exact Mass243.06
IUPAC Namefuran-3-yl-[(3S)-3-methyl-1,1-dioxo-1,4-thiazinan-4-yl]methanone
SMILESC[C@H]1CS(=O)(=O)CCN1C(=O)c1ccoc1
InChIInChI=1S/C10H13NO4S/c1-8-7-16(13,14)5-3-11(8)10(12)9-2-4-15-6-9/h2,4,6,8H,3,5,7H2,1H3/t8-/m0/s1
InChIKeyMRLNISSBMNPRLI-QMMMGPOBSA-N
XLogP0.54
TPSA67.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.28
LogP ≤ 50.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4-aminophenyl)-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone
CID 103811859
5-(3-methyl-1,1-dioxo-1,4-thiazinane-4-carbonyl)furan-3-carboxylic acid
CID 102885555
[4-(2-aminoethyl)phenyl]-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone
CID 102883272
(4-amino-3-fluorophenyl)-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone
CID 102882172
(2-hydrazinyl-4-pyridinyl)-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone
CID 102886398
6-(3-methyl-1,1-dioxo-1,4-thiazinane-4-carbonyl)-1,3-dihydroindol-2-one
CID 102737404
[4-(3-hydroxyprop-1-ynyl)phenyl]-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone
CID 102885692
(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-[4-(propylamino)phenyl]methanone
CID 102886340
[3-amino-4-(dimethylamino)phenyl]-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone
CID 102882248
(3-anilinophenyl)-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone
CID 166211961
1-[(4aR,7aS)-1-(furan-3-carbonyl)-6,6-dioxo-2,3,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazin-4-yl]-2-methylpropan-1-one
CID 133118481
(2-chloro-5-hydroxyphenyl)-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone
CID 106502246

Frequently Asked Questions

What is the IUPAC name of furan-3-yl-[(3S)-3-methyl-1,1-dioxo-1,4-thiazinan-4-yl]methanone?
The IUPAC name of furan-3-yl-[(3S)-3-methyl-1,1-dioxo-1,4-thiazinan-4-yl]methanone (CID 99816902) is furan-3-yl-[(3S)-3-methyl-1,1-dioxo-1,4-thiazinan-4-yl]methanone.
What is the SMILES notation for furan-3-yl-[(3S)-3-methyl-1,1-dioxo-1,4-thiazinan-4-yl]methanone?
The canonical SMILES for furan-3-yl-[(3S)-3-methyl-1,1-dioxo-1,4-thiazinan-4-yl]methanone is C[C@H]1CS(=O)(=O)CCN1C(=O)c1ccoc1.
What is the InChIKey of furan-3-yl-[(3S)-3-methyl-1,1-dioxo-1,4-thiazinan-4-yl]methanone?
The InChIKey is MRLNISSBMNPRLI-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H13NO4S/c1-8-7-16(13,14)5-3-11(8)10(12)9-2-4-15-6-9/h2,4,6,8H,3,5,7H2,1H3/t8-/m0/s1.
What are the key properties of furan-3-yl-[(3S)-3-methyl-1,1-dioxo-1,4-thiazinan-4-yl]methanone?
furan-3-yl-[(3S)-3-methyl-1,1-dioxo-1,4-thiazinan-4-yl]methanone has a molecular weight of 243.28 g/mol, XLogP of 0.54, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for furan-3-yl-[(3S)-3-methyl-1,1-dioxo-1,4-thiazinan-4-yl]methanone is sourced from PubChem (CID 99816902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).