N-[1-(2,5-dimethylphenyl)ethyl]-1,1-dioxo-1,4-thiazinane-4-carboxamide

C15H22N2O3S — CID 56826086

IUPACN-[1-(2,5-dimethylphenyl)ethyl]-1,1-dioxo-1,4-thiazinane-4-carboxamide
SMILESCc1ccc(C)c(C(C)NC(=O)N2CCS(=O)(=O)CC2)c1
InChIInChI=1S/C15H22N2O3S/c1-11-4-5-12(2)14(10-11)13(3)16-15(18)17-6-8-21(19,20)9-7-17/h4-5,10,13H,6-9H2,1-3H3,(H,16,18)
InChIKeyWQUXMZTXWKWRIF-UHFFFAOYSA-N
MW310.42 g/mol
LogP1.80
Rot. Bonds2

About N-[1-(2,5-dimethylphenyl)ethyl]-1,1-dioxo-1,4-thiazinane-4-carboxamide

N-[1-(2,5-dimethylphenyl)ethyl]-1,1-dioxo-1,4-thiazinane-4-carboxamide (PubChem CID 56826086) has the molecular formula C15H22N2O3S and a molecular weight of 310.42 g/mol. Its IUPAC name is N-[1-(2,5-dimethylphenyl)ethyl]-1,1-dioxo-1,4-thiazinane-4-carboxamide.

Molecular Properties

Compound NameN-[1-(2,5-dimethylphenyl)ethyl]-1,1-dioxo-1,4-thiazinane-4-carboxamide
PubChem CID56826086
Molecular FormulaC15H22N2O3S
Molecular Weight310.42 g/mol
Exact Mass310.14
IUPAC NameN-[1-(2,5-dimethylphenyl)ethyl]-1,1-dioxo-1,4-thiazinane-4-carboxamide
SMILESCc1ccc(C)c(C(C)NC(=O)N2CCS(=O)(=O)CC2)c1
InChIInChI=1S/C15H22N2O3S/c1-11-4-5-12(2)14(10-11)13(3)16-15(18)17-6-8-21(19,20)9-7-17/h4-5,10,13H,6-9H2,1-3H3,(H,16,18)
InChIKeyWQUXMZTXWKWRIF-UHFFFAOYSA-N
XLogP1.80
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-amino-2-oxoethyl)-N-[1-(2,5-dimethylphenyl)ethyl]piperidine-1-carboxamide
CID 75423837
4-(3-methoxy-4-methylbenzoyl)-N-[1-(2-methoxy-5-methylphenyl)ethyl]piperazine-1-carboxamide
CID 55922461
N-[(1S)-1-(2,5-dimethylphenyl)ethyl]prop-2-enamide
CID 167955086
trans-(1S,2S)-N-[(1S)-1-(2,5-dimethylphenyl)ethyl]-2-methylcyclopropane-1-carboxamide
CID 11922406
N-[1-(2,5-dimethylphenyl)ethyl]-2-methylcyclopropane-1-carboxamide
CID 6469818
N-[1-(2,5-dimethylphenyl)ethyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
CID 16549115
N-[1-(2,5-dimethylphenyl)ethyl]-2-piperazin-1-ylacetamide
CID 60851256
ethyl 4-[1-(2,5-dimethylphenyl)ethylcarbamoyl]piperidine-1-carboxylate
CID 17459653
N-[(1S)-1-(2,5-dimethylphenyl)ethyl]-3-(4-methylphenyl)propanamide
CID 93239788
N-[(1R)-1-(4-methylphenyl)ethyl]pyrrolidine-1-carboxamide
CID 94647353
N-[1-(2-methoxy-5-methylphenyl)ethyl]-4-phenylpiperazine-1-carboxamide
CID 51291225
3-chloro-N-[1-(2,5-dimethylphenyl)ethyl]propanamide
CID 17327223

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,5-dimethylphenyl)ethyl]-1,1-dioxo-1,4-thiazinane-4-carboxamide?
The IUPAC name of N-[1-(2,5-dimethylphenyl)ethyl]-1,1-dioxo-1,4-thiazinane-4-carboxamide (CID 56826086) is N-[1-(2,5-dimethylphenyl)ethyl]-1,1-dioxo-1,4-thiazinane-4-carboxamide.
What is the SMILES notation for N-[1-(2,5-dimethylphenyl)ethyl]-1,1-dioxo-1,4-thiazinane-4-carboxamide?
The canonical SMILES for N-[1-(2,5-dimethylphenyl)ethyl]-1,1-dioxo-1,4-thiazinane-4-carboxamide is Cc1ccc(C)c(C(C)NC(=O)N2CCS(=O)(=O)CC2)c1.
What is the InChIKey of N-[1-(2,5-dimethylphenyl)ethyl]-1,1-dioxo-1,4-thiazinane-4-carboxamide?
The InChIKey is WQUXMZTXWKWRIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3S/c1-11-4-5-12(2)14(10-11)13(3)16-15(18)17-6-8-21(19,20)9-7-17/h4-5,10,13H,6-9H2,1-3H3,(H,16,18).
What are the key properties of N-[1-(2,5-dimethylphenyl)ethyl]-1,1-dioxo-1,4-thiazinane-4-carboxamide?
N-[1-(2,5-dimethylphenyl)ethyl]-1,1-dioxo-1,4-thiazinane-4-carboxamide has a molecular weight of 310.42 g/mol, XLogP of 1.80, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,5-dimethylphenyl)ethyl]-1,1-dioxo-1,4-thiazinane-4-carboxamide is sourced from PubChem (CID 56826086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).