N-methyl-1,1-dioxo-N-(3-propan-2-ylphenyl)-1,4-thiazinane-2-carboxamide

C15H22N2O3S — CID 155955403

IUPACN-methyl-1,1-dioxo-N-(3-propan-2-ylphenyl)-1,4-thiazinane-2-carboxamide
SMILESCC(C)c1cccc(N(C)C(=O)C2CNCCS2(=O)=O)c1
InChIInChI=1S/C15H22N2O3S/c1-11(2)12-5-4-6-13(9-12)17(3)15(18)14-10-16-7-8-21(14,19)20/h4-6,9,11,14,16H,7-8,10H2,1-3H3
InChIKeyFACNNHMQVMUNPU-UHFFFAOYSA-N
MW310.42 g/mol
LogP1.16
Rot. Bonds3

About N-methyl-1,1-dioxo-N-(3-propan-2-ylphenyl)-1,4-thiazinane-2-carboxamide

N-methyl-1,1-dioxo-N-(3-propan-2-ylphenyl)-1,4-thiazinane-2-carboxamide (PubChem CID 155955403) has the molecular formula C15H22N2O3S and a molecular weight of 310.42 g/mol. Its IUPAC name is N-methyl-1,1-dioxo-N-(3-propan-2-ylphenyl)-1,4-thiazinane-2-carboxamide.

Molecular Properties

Compound NameN-methyl-1,1-dioxo-N-(3-propan-2-ylphenyl)-1,4-thiazinane-2-carboxamide
PubChem CID155955403
Molecular FormulaC15H22N2O3S
Molecular Weight310.42 g/mol
Exact Mass310.14
IUPAC NameN-methyl-1,1-dioxo-N-(3-propan-2-ylphenyl)-1,4-thiazinane-2-carboxamide
SMILESCC(C)c1cccc(N(C)C(=O)C2CNCCS2(=O)=O)c1
InChIInChI=1S/C15H22N2O3S/c1-11(2)12-5-4-6-13(9-12)17(3)15(18)14-10-16-7-8-21(14,19)20/h4-6,9,11,14,16H,7-8,10H2,1-3H3
InChIKeyFACNNHMQVMUNPU-UHFFFAOYSA-N
XLogP1.16
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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1-(4-fluorophenyl)sulfonyl-N-methyl-N-(3-propan-2-ylphenyl)piperidine-4-carboxamide
CID 47868124
1-(1,1-dioxo-1,4-thiazinan-2-yl)ethanone
CID 173253418
N-methyl-1-(2-phenylacetyl)-N-(3-propan-2-ylphenyl)piperidine-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-methyl-1,1-dioxo-N-(3-propan-2-ylphenyl)-1,4-thiazinane-2-carboxamide?
The IUPAC name of N-methyl-1,1-dioxo-N-(3-propan-2-ylphenyl)-1,4-thiazinane-2-carboxamide (CID 155955403) is N-methyl-1,1-dioxo-N-(3-propan-2-ylphenyl)-1,4-thiazinane-2-carboxamide.
What is the SMILES notation for N-methyl-1,1-dioxo-N-(3-propan-2-ylphenyl)-1,4-thiazinane-2-carboxamide?
The canonical SMILES for N-methyl-1,1-dioxo-N-(3-propan-2-ylphenyl)-1,4-thiazinane-2-carboxamide is CC(C)c1cccc(N(C)C(=O)C2CNCCS2(=O)=O)c1.
What is the InChIKey of N-methyl-1,1-dioxo-N-(3-propan-2-ylphenyl)-1,4-thiazinane-2-carboxamide?
The InChIKey is FACNNHMQVMUNPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3S/c1-11(2)12-5-4-6-13(9-12)17(3)15(18)14-10-16-7-8-21(14,19)20/h4-6,9,11,14,16H,7-8,10H2,1-3H3.
What are the key properties of N-methyl-1,1-dioxo-N-(3-propan-2-ylphenyl)-1,4-thiazinane-2-carboxamide?
N-methyl-1,1-dioxo-N-(3-propan-2-ylphenyl)-1,4-thiazinane-2-carboxamide has a molecular weight of 310.42 g/mol, XLogP of 1.16, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1,1-dioxo-N-(3-propan-2-ylphenyl)-1,4-thiazinane-2-carboxamide is sourced from PubChem (CID 155955403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).