1-[4-(1,1-dioxo-1,4-thiazinan-4-yl)cyclohexyl]-N,N-dimethylmethanamine

C13H26N2O2S — CID 58437981

IUPAC1-[4-(1,1-dioxo-1,4-thiazinan-4-yl)cyclohexyl]-N,N-dimethylmethanamine
SMILESCN(C)CC1CCC(N2CCS(=O)(=O)CC2)CC1
InChIInChI=1S/C13H26N2O2S/c1-14(2)11-12-3-5-13(6-4-12)15-7-9-18(16,17)10-8-15/h12-13H,3-11H2,1-2H3
InChIKeyBFZMPAGCCGWLST-UHFFFAOYSA-N
MW274.43 g/mol
LogP0.84
Rot. Bonds3

About 1-[4-(1,1-dioxo-1,4-thiazinan-4-yl)cyclohexyl]-N,N-dimethylmethanamine

1-[4-(1,1-dioxo-1,4-thiazinan-4-yl)cyclohexyl]-N,N-dimethylmethanamine (PubChem CID 58437981) has the molecular formula C13H26N2O2S and a molecular weight of 274.43 g/mol. Its IUPAC name is 1-[4-(1,1-dioxo-1,4-thiazinan-4-yl)cyclohexyl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[4-(1,1-dioxo-1,4-thiazinan-4-yl)cyclohexyl]-N,N-dimethylmethanamine
PubChem CID58437981
Molecular FormulaC13H26N2O2S
Molecular Weight274.43 g/mol
Exact Mass274.17
IUPAC Name1-[4-(1,1-dioxo-1,4-thiazinan-4-yl)cyclohexyl]-N,N-dimethylmethanamine
SMILESCN(C)CC1CCC(N2CCS(=O)(=O)CC2)CC1
InChIInChI=1S/C13H26N2O2S/c1-14(2)11-12-3-5-13(6-4-12)15-7-9-18(16,17)10-8-15/h12-13H,3-11H2,1-2H3
InChIKeyBFZMPAGCCGWLST-UHFFFAOYSA-N
XLogP0.84
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.43
LogP ≤ 50.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclohexyl-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]methanesulfonamide
CID 60295792
1-(3-Methylsulfonylpropyl)-4-(4-propan-2-ylcyclohexyl)piperazine
CID 75408403
1-(2-Methylsulfonylethyl)-4-(4-propan-2-ylcyclohexyl)piperazine
CID 75408404
1-(2-Ethylsulfonylethyl)-4-(4-propan-2-ylcyclohexyl)piperazine
CID 75408405
1-Ethylsulfonyl-4-(4-methylcyclohexyl)piperazine
CID 645719
1-(4-Methylcyclohexyl)-4-(propylsulfonyl)piperazine
CID 777548
4-(2-Methylsulfonylethyl)-1-thia-4-azaspiro[5.5]undecane
CID 71976335
(2R)-4-[1-[(2R)-1-ethyl-2-(trifluoromethyl)piperidin-3-yl]propan-2-yl]-2-methyl-1,4-thiazinane 1,1-dioxide
CID 146627252
4-[(1S,2S)-3,3-difluoro-2-methylcyclohexyl]sulfonyl-1-propan-2-ylpiperidine
CID 163946894
1-(3-Methylcyclohexyl)-4-(propylsulfonyl)piperazine
CID 3145559
4-Methyl-1-(2-propylsulfonylethyl)-1,4-diazaspiro[5.5]undecane
CID 71861834
4-(4-Methylcyclohexyl)-1,4-thiazinane 1-oxide
CID 20761842

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1,1-dioxo-1,4-thiazinan-4-yl)cyclohexyl]-N,N-dimethylmethanamine?
The IUPAC name of 1-[4-(1,1-dioxo-1,4-thiazinan-4-yl)cyclohexyl]-N,N-dimethylmethanamine (CID 58437981) is 1-[4-(1,1-dioxo-1,4-thiazinan-4-yl)cyclohexyl]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[4-(1,1-dioxo-1,4-thiazinan-4-yl)cyclohexyl]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[4-(1,1-dioxo-1,4-thiazinan-4-yl)cyclohexyl]-N,N-dimethylmethanamine is CN(C)CC1CCC(N2CCS(=O)(=O)CC2)CC1.
What is the InChIKey of 1-[4-(1,1-dioxo-1,4-thiazinan-4-yl)cyclohexyl]-N,N-dimethylmethanamine?
The InChIKey is BFZMPAGCCGWLST-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2S/c1-14(2)11-12-3-5-13(6-4-12)15-7-9-18(16,17)10-8-15/h12-13H,3-11H2,1-2H3.
What are the key properties of 1-[4-(1,1-dioxo-1,4-thiazinan-4-yl)cyclohexyl]-N,N-dimethylmethanamine?
1-[4-(1,1-dioxo-1,4-thiazinan-4-yl)cyclohexyl]-N,N-dimethylmethanamine has a molecular weight of 274.43 g/mol, XLogP of 0.84, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1,1-dioxo-1,4-thiazinan-4-yl)cyclohexyl]-N,N-dimethylmethanamine is sourced from PubChem (CID 58437981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).