2-[(3S)-1,1-dioxo-4-(2,2,3,3-tetramethylcyclopropanecarbonyl)-1,4-thiazinan-3-yl]-N-methylacetamide

C15H26N2O4S — CID 164640349

IUPAC2-[(3S)-1,1-dioxo-4-(2,2,3,3-tetramethylcyclopropanecarbonyl)-1,4-thiazinan-3-yl]-N-methylacetamide
SMILESCNC(=O)C[C@H]1CS(=O)(=O)CCN1C(=O)C1C(C)(C)C1(C)C
InChIInChI=1S/C15H26N2O4S/c1-14(2)12(15(14,3)4)13(19)17-6-7-22(20,21)9-10(17)8-11(18)16-5/h10,12H,6-9H2,1-5H3,(H,16,18)/t10-/m0/s1
InChIKeyNARGSDLGJOKTHU-JTQLQIEISA-N
MW330.45 g/mol
LogP0.43
Rot. Bonds3

About 2-[(3S)-1,1-dioxo-4-(2,2,3,3-tetramethylcyclopropanecarbonyl)-1,4-thiazinan-3-yl]-N-methylacetamide

2-[(3S)-1,1-dioxo-4-(2,2,3,3-tetramethylcyclopropanecarbonyl)-1,4-thiazinan-3-yl]-N-methylacetamide (PubChem CID 164640349) has the molecular formula C15H26N2O4S and a molecular weight of 330.45 g/mol. Its IUPAC name is 2-[(3S)-1,1-dioxo-4-(2,2,3,3-tetramethylcyclopropanecarbonyl)-1,4-thiazinan-3-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-[(3S)-1,1-dioxo-4-(2,2,3,3-tetramethylcyclopropanecarbonyl)-1,4-thiazinan-3-yl]-N-methylacetamide
PubChem CID164640349
Molecular FormulaC15H26N2O4S
Molecular Weight330.45 g/mol
Exact Mass330.16
IUPAC Name2-[(3S)-1,1-dioxo-4-(2,2,3,3-tetramethylcyclopropanecarbonyl)-1,4-thiazinan-3-yl]-N-methylacetamide
SMILESCNC(=O)C[C@H]1CS(=O)(=O)CCN1C(=O)C1C(C)(C)C1(C)C
InChIInChI=1S/C15H26N2O4S/c1-14(2)12(15(14,3)4)13(19)17-6-7-22(20,21)9-10(17)8-11(18)16-5/h10,12H,6-9H2,1-5H3,(H,16,18)/t10-/m0/s1
InChIKeyNARGSDLGJOKTHU-JTQLQIEISA-N
XLogP0.43
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.45
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1R)-2,2-dimethyl-N-[(2S,3S)-2-methyl-1,1-dioxothiolan-3-yl]cyclopropane-1-carboxamide
CID 164634854
N-[1-(1,1-dioxidotetrahydro-2H-thiopyran-4-yl)piperidin-4-yl]-2,2-dimethylcyclopropanecarboxamide
CID 131945479
2-Methylsulfonyl-5-azaspiro[2.5]octane-7-carboxamide
CID 69289387
8-Methylsulfonyl-5-azaspiro[2.5]octane-7-carboxamide
CID 69289388
N-[(1,1-dioxothian-4-yl)methyl]-2,2-dimethylpentanamide
CID 118669219
N-(1,1-dioxothian-4-yl)-2,2-dimethylpentanamide
CID 118669221
N-[4-(1,1-dioxo-1,4-thiazinan-4-yl)-3,3-dimethyl-4-oxobutyl]-1-(2-methylpropyl)cyclopropane-1-carboxamide
CID 130227401
N-(1,1-dioxothian-4-yl)-2,2,4,4-tetramethylpentanamide
CID 130266051
N-[4-[3-(methylamino)propylsulfonyl]butyl]-1-propan-2-ylcyclopropane-1-carboxamide
CID 156820041
(3R)-N-[(3R)-1,1-dioxothiolan-3-yl]-1-methylsulfonylpiperidine-3-carboxamide
CID 35522611
(3S)-N-[(3R)-1,1-dioxothiolan-3-yl]-1-methylsulfonylpiperidine-3-carboxamide
CID 35522613
N-(1,1-dioxothiolan-3-yl)-N-methylpiperidine-3-carboxamide
CID 43648730

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-1,1-dioxo-4-(2,2,3,3-tetramethylcyclopropanecarbonyl)-1,4-thiazinan-3-yl]-N-methylacetamide?
The IUPAC name of 2-[(3S)-1,1-dioxo-4-(2,2,3,3-tetramethylcyclopropanecarbonyl)-1,4-thiazinan-3-yl]-N-methylacetamide (CID 164640349) is 2-[(3S)-1,1-dioxo-4-(2,2,3,3-tetramethylcyclopropanecarbonyl)-1,4-thiazinan-3-yl]-N-methylacetamide.
What is the SMILES notation for 2-[(3S)-1,1-dioxo-4-(2,2,3,3-tetramethylcyclopropanecarbonyl)-1,4-thiazinan-3-yl]-N-methylacetamide?
The canonical SMILES for 2-[(3S)-1,1-dioxo-4-(2,2,3,3-tetramethylcyclopropanecarbonyl)-1,4-thiazinan-3-yl]-N-methylacetamide is CNC(=O)C[C@H]1CS(=O)(=O)CCN1C(=O)C1C(C)(C)C1(C)C.
What is the InChIKey of 2-[(3S)-1,1-dioxo-4-(2,2,3,3-tetramethylcyclopropanecarbonyl)-1,4-thiazinan-3-yl]-N-methylacetamide?
The InChIKey is NARGSDLGJOKTHU-JTQLQIEISA-N. The full InChI is InChI=1S/C15H26N2O4S/c1-14(2)12(15(14,3)4)13(19)17-6-7-22(20,21)9-10(17)8-11(18)16-5/h10,12H,6-9H2,1-5H3,(H,16,18)/t10-/m0/s1.
What are the key properties of 2-[(3S)-1,1-dioxo-4-(2,2,3,3-tetramethylcyclopropanecarbonyl)-1,4-thiazinan-3-yl]-N-methylacetamide?
2-[(3S)-1,1-dioxo-4-(2,2,3,3-tetramethylcyclopropanecarbonyl)-1,4-thiazinan-3-yl]-N-methylacetamide has a molecular weight of 330.45 g/mol, XLogP of 0.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-1,1-dioxo-4-(2,2,3,3-tetramethylcyclopropanecarbonyl)-1,4-thiazinan-3-yl]-N-methylacetamide is sourced from PubChem (CID 164640349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).