(2,2-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)-[(3R)-1-(2-methylpropyl)pyrrolidin-3-yl]methanone

C15H28N2O3S — CID 97226647

IUPAC(2,2-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)-[(3R)-1-(2-methylpropyl)pyrrolidin-3-yl]methanone
SMILESCC(C)CN1CC[C@@H](C(=O)N2CCS(=O)(=O)C(C)(C)C2)C1
InChIInChI=1S/C15H28N2O3S/c1-12(2)9-16-6-5-13(10-16)14(18)17-7-8-21(19,20)15(3,4)11-17/h12-13H,5-11H2,1-4H3/t13-/m1/s1
InChIKeyKBPVYNSNRQIZOA-CYBMUJFWSA-N
MW316.47 g/mol
LogP1.00
Rot. Bonds3

About (2,2-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)-[(3R)-1-(2-methylpropyl)pyrrolidin-3-yl]methanone

(2,2-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)-[(3R)-1-(2-methylpropyl)pyrrolidin-3-yl]methanone (PubChem CID 97226647) has the molecular formula C15H28N2O3S and a molecular weight of 316.47 g/mol. Its IUPAC name is (2,2-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)-[(3R)-1-(2-methylpropyl)pyrrolidin-3-yl]methanone.

Molecular Properties

Compound Name(2,2-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)-[(3R)-1-(2-methylpropyl)pyrrolidin-3-yl]methanone
PubChem CID97226647
Molecular FormulaC15H28N2O3S
Molecular Weight316.47 g/mol
Exact Mass316.18
IUPAC Name(2,2-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)-[(3R)-1-(2-methylpropyl)pyrrolidin-3-yl]methanone
SMILESCC(C)CN1CC[C@@H](C(=O)N2CCS(=O)(=O)C(C)(C)C2)C1
InChIInChI=1S/C15H28N2O3S/c1-12(2)9-16-6-5-13(10-16)14(18)17-7-8-21(19,20)15(3,4)11-17/h12-13H,5-11H2,1-4H3/t13-/m1/s1
InChIKeyKBPVYNSNRQIZOA-CYBMUJFWSA-N
XLogP1.00
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.47
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (2,2-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)-[(3R)-1-(2-methylpropyl)pyrrolidin-3-yl]methanone with MolForge

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Related Compounds

(1-benzylpiperidin-3-yl)-(2,2-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone
CID 136514257
(3-aminocyclopentyl)-(2,2-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone;hydrochloride
CID 119807906
(2,2-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)-pyrrolidin-3-ylmethanone
CID 119807946
[2-(aminomethyl)piperidin-1-yl]-[1-(2-methylpropyl)pyrrolidin-3-yl]methanone
CID 126790046
(2R)-3-methyl-2-[4-[(3R)-1-(2-methylpropyl)pyrrolidine-3-carbonyl]piperazin-1-yl]butanenitrile
CID 97082468
(1-methylpiperidin-4-yl)-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 165146139
[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(2,2-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone
CID 120795296
2-amino-1-(2,2-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)ethanone
CID 119337416
[1-(2-methylpropyl)piperidin-4-yl]-morpholin-4-ylmethanone
CID 883920
cyclohexyl-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 113072857
2-methyl-1-[1-(2-methylpropyl)piperidin-4-yl]propan-1-one
CID 176724060
2-amino-1-(2,2-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)-2-(oxan-4-yl)ethanone
CID 120795298

Frequently Asked Questions

What is the IUPAC name of (2,2-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)-[(3R)-1-(2-methylpropyl)pyrrolidin-3-yl]methanone?
The IUPAC name of (2,2-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)-[(3R)-1-(2-methylpropyl)pyrrolidin-3-yl]methanone (CID 97226647) is (2,2-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)-[(3R)-1-(2-methylpropyl)pyrrolidin-3-yl]methanone.
What is the SMILES notation for (2,2-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)-[(3R)-1-(2-methylpropyl)pyrrolidin-3-yl]methanone?
The canonical SMILES for (2,2-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)-[(3R)-1-(2-methylpropyl)pyrrolidin-3-yl]methanone is CC(C)CN1CC[C@@H](C(=O)N2CCS(=O)(=O)C(C)(C)C2)C1.
What is the InChIKey of (2,2-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)-[(3R)-1-(2-methylpropyl)pyrrolidin-3-yl]methanone?
The InChIKey is KBPVYNSNRQIZOA-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H28N2O3S/c1-12(2)9-16-6-5-13(10-16)14(18)17-7-8-21(19,20)15(3,4)11-17/h12-13H,5-11H2,1-4H3/t13-/m1/s1.
What are the key properties of (2,2-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)-[(3R)-1-(2-methylpropyl)pyrrolidin-3-yl]methanone?
(2,2-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)-[(3R)-1-(2-methylpropyl)pyrrolidin-3-yl]methanone has a molecular weight of 316.47 g/mol, XLogP of 1.00, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)-[(3R)-1-(2-methylpropyl)pyrrolidin-3-yl]methanone is sourced from PubChem (CID 97226647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).