[4-methyl-1-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]cyclohexyl]methanamine

C14H28N2O2S — CID 102884207

IUPAC[4-methyl-1-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]cyclohexyl]methanamine
SMILESCC1CCC(CN)(CN2CCS(=O)(=O)CC2C)CC1
InChIInChI=1S/C14H28N2O2S/c1-12-3-5-14(10-15,6-4-12)11-16-7-8-19(17,18)9-13(16)2/h12-13H,3-11,15H2,1-2H3
InChIKeyZZRJRCRRONPBIM-UHFFFAOYSA-N
MW288.46 g/mol
LogP1.26
Rot. Bonds3

About [4-methyl-1-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]cyclohexyl]methanamine

[4-methyl-1-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]cyclohexyl]methanamine (PubChem CID 102884207) has the molecular formula C14H28N2O2S and a molecular weight of 288.46 g/mol. Its IUPAC name is [4-methyl-1-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]cyclohexyl]methanamine.

Molecular Properties

Compound Name[4-methyl-1-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]cyclohexyl]methanamine
PubChem CID102884207
Molecular FormulaC14H28N2O2S
Molecular Weight288.46 g/mol
Exact Mass288.19
IUPAC Name[4-methyl-1-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]cyclohexyl]methanamine
SMILESCC1CCC(CN)(CN2CCS(=O)(=O)CC2C)CC1
InChIInChI=1S/C14H28N2O2S/c1-12-3-5-14(10-15,6-4-12)11-16-7-8-19(17,18)9-13(16)2/h12-13H,3-11,15H2,1-2H3
InChIKeyZZRJRCRRONPBIM-UHFFFAOYSA-N
XLogP1.26
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.46
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [4-methyl-1-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]cyclohexyl]methanamine with MolForge

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Related Compounds

4-[[1-(bromomethyl)cyclopropyl]methyl]-3-methyl-1,4-thiazinane 1,1-dioxide
CID 102885914
1-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]cyclopropan-1-amine
CID 102884145
1-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]cyclohexan-1-amine
CID 102884121
[1-[(2-methylpyrrolidin-1-yl)methyl]cyclobutyl]methanamine
CID 115448882
[1-[(2,6-dimethylpiperidin-1-yl)methyl]-4-methylcyclohexyl]methanamine
CID 113310568
N-[[4-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]oxan-4-yl]methyl]propan-1-amine
CID 102886553
7-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)heptan-1-amine
CID 102884168
5-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pentan-1-amine
CID 102882862
[2-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]cyclopentyl]methanamine
CID 102884225
[1-[[1-(aminomethyl)-4-methylcyclohexyl]methyl]-3-methylpyrrolidin-2-yl]methanol
CID 102789457
[1-[(2-methylpiperidin-1-yl)methyl]cyclobutyl]methanamine
CID 82171577
4-(2-chloroethyl)-3-methyl-1,4-thiazinane 1,1-dioxide
CID 102885899

Frequently Asked Questions

What is the IUPAC name of [4-methyl-1-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]cyclohexyl]methanamine?
The IUPAC name of [4-methyl-1-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]cyclohexyl]methanamine (CID 102884207) is [4-methyl-1-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]cyclohexyl]methanamine.
What is the SMILES notation for [4-methyl-1-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]cyclohexyl]methanamine?
The canonical SMILES for [4-methyl-1-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]cyclohexyl]methanamine is CC1CCC(CN)(CN2CCS(=O)(=O)CC2C)CC1.
What is the InChIKey of [4-methyl-1-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]cyclohexyl]methanamine?
The InChIKey is ZZRJRCRRONPBIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2S/c1-12-3-5-14(10-15,6-4-12)11-16-7-8-19(17,18)9-13(16)2/h12-13H,3-11,15H2,1-2H3.
What are the key properties of [4-methyl-1-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]cyclohexyl]methanamine?
[4-methyl-1-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]cyclohexyl]methanamine has a molecular weight of 288.46 g/mol, XLogP of 1.26, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-1-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]cyclohexyl]methanamine is sourced from PubChem (CID 102884207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).