2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-methyl-N-(2-methylcyclohexyl)acetamide

C14H26N2O3S — CID 80520117

IUPAC2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-methyl-N-(2-methylcyclohexyl)acetamide
SMILESCC1CCCCC1N(C)C(=O)CC1CS(=O)(=O)CCN1
InChIInChI=1S/C14H26N2O3S/c1-11-5-3-4-6-13(11)16(2)14(17)9-12-10-20(18,19)8-7-15-12/h11-13,15H,3-10H2,1-2H3
InChIKeyRVZYQBMZVGBZJA-UHFFFAOYSA-N
MW302.44 g/mol
LogP0.80
Rot. Bonds3

About 2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-methyl-N-(2-methylcyclohexyl)acetamide

2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-methyl-N-(2-methylcyclohexyl)acetamide (PubChem CID 80520117) has the molecular formula C14H26N2O3S and a molecular weight of 302.44 g/mol. Its IUPAC name is 2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-methyl-N-(2-methylcyclohexyl)acetamide.

Molecular Properties

Compound Name2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-methyl-N-(2-methylcyclohexyl)acetamide
PubChem CID80520117
Molecular FormulaC14H26N2O3S
Molecular Weight302.44 g/mol
Exact Mass302.17
IUPAC Name2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-methyl-N-(2-methylcyclohexyl)acetamide
SMILESCC1CCCCC1N(C)C(=O)CC1CS(=O)(=O)CCN1
InChIInChI=1S/C14H26N2O3S/c1-11-5-3-4-6-13(11)16(2)14(17)9-12-10-20(18,19)8-7-15-12/h11-13,15H,3-10H2,1-2H3
InChIKeyRVZYQBMZVGBZJA-UHFFFAOYSA-N
XLogP0.80
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.44
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide
CID 80519802
2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-methoxy-N-methylacetamide
CID 80520093
N-(1,1-dioxothiolan-3-yl)-N-methyl-2-piperidin-2-ylacetamide
CID 43648898
2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-methyl-N-(oxan-2-ylmethyl)acetamide
CID 80520161
2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]acetamide
CID 80522002
2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-methyl-N-(oxolan-2-ylmethyl)acetamide
CID 80520145
2-(1,1-dioxo-1,4-thiazinan-3-yl)-1-(4-methylcyclohexyl)ethanone
CID 116595583
N,N-dibutyl-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide
CID 80519883
(3,4-dimethylcyclohexyl) 2-(1,1-dioxo-1,4-thiazinan-3-yl)acetate
CID 80518802
2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(4-ethylphenyl)-N-methylacetamide
CID 80518081
2-[(3R)-1,1-dioxo-1,4-thiazinan-3-yl]acetic acid
CID 95970256
N-methyl-N-(2-methylcyclohexyl)propanamide
CID 60735521

Frequently Asked Questions

What is the IUPAC name of 2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-methyl-N-(2-methylcyclohexyl)acetamide?
The IUPAC name of 2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-methyl-N-(2-methylcyclohexyl)acetamide (CID 80520117) is 2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-methyl-N-(2-methylcyclohexyl)acetamide.
What is the SMILES notation for 2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-methyl-N-(2-methylcyclohexyl)acetamide?
The canonical SMILES for 2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-methyl-N-(2-methylcyclohexyl)acetamide is CC1CCCCC1N(C)C(=O)CC1CS(=O)(=O)CCN1.
What is the InChIKey of 2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-methyl-N-(2-methylcyclohexyl)acetamide?
The InChIKey is RVZYQBMZVGBZJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3S/c1-11-5-3-4-6-13(11)16(2)14(17)9-12-10-20(18,19)8-7-15-12/h11-13,15H,3-10H2,1-2H3.
What are the key properties of 2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-methyl-N-(2-methylcyclohexyl)acetamide?
2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-methyl-N-(2-methylcyclohexyl)acetamide has a molecular weight of 302.44 g/mol, XLogP of 0.80, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-methyl-N-(2-methylcyclohexyl)acetamide is sourced from PubChem (CID 80520117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).