4,4-dimethyl-2-[4-(methylamino)cyclohexyl]-1,1-dioxothiazetidin-3-one

C11H20N2O3S — CID 79873810

IUPAC4,4-dimethyl-2-[4-(methylamino)cyclohexyl]-1,1-dioxothiazetidin-3-one
SMILESCNC1CCC(N2C(=O)C(C)(C)S2(=O)=O)CC1
InChIInChI=1S/C11H20N2O3S/c1-11(2)10(14)13(17(11,15)16)9-6-4-8(12-3)5-7-9/h8-9,12H,4-7H2,1-3H3
InChIKeyOMADMMCSHPNOBX-UHFFFAOYSA-N
MW260.36 g/mol
LogP0.47
Rot. Bonds2

About 4,4-dimethyl-2-[4-(methylamino)cyclohexyl]-1,1-dioxothiazetidin-3-one

4,4-dimethyl-2-[4-(methylamino)cyclohexyl]-1,1-dioxothiazetidin-3-one (PubChem CID 79873810) has the molecular formula C11H20N2O3S and a molecular weight of 260.36 g/mol. Its IUPAC name is 4,4-dimethyl-2-[4-(methylamino)cyclohexyl]-1,1-dioxothiazetidin-3-one.

Molecular Properties

Compound Name4,4-dimethyl-2-[4-(methylamino)cyclohexyl]-1,1-dioxothiazetidin-3-one
PubChem CID79873810
Molecular FormulaC11H20N2O3S
Molecular Weight260.36 g/mol
Exact Mass260.12
IUPAC Name4,4-dimethyl-2-[4-(methylamino)cyclohexyl]-1,1-dioxothiazetidin-3-one
SMILESCNC1CCC(N2C(=O)C(C)(C)S2(=O)=O)CC1
InChIInChI=1S/C11H20N2O3S/c1-11(2)10(14)13(17(11,15)16)9-6-4-8(12-3)5-7-9/h8-9,12H,4-7H2,1-3H3
InChIKeyOMADMMCSHPNOBX-UHFFFAOYSA-N
XLogP0.47
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Methyl 1-(cyclohexylamino)-2-methyl-1-oxopropane-2-sulfinate
CID 134994492
5-(tert-butylsulfonylamino)-N-cyclohexylpentanamide
CID 20630939
N-[4-(methanesulfonamido)cyclohexyl]acetamide
CID 57747890
N-[3-(cyclohexylamino)propylsulfonyl]-2-methylpropanamide
CID 152873653
2-Cyclohexyl-4,4-dimethyl-1,1-dioxothiazetidin-3-one
CID 12225148
2-methyl-N-[4-(methylamino)cyclohexyl]-2-methylsulfonylpropanamide
CID 64017613
N-[4-(ethylamino)cyclohexyl]-2-methyl-2-methylsulfonylpropanamide
CID 64017615
2-methyl-2-methylsulfonyl-N-[4-(propylamino)cyclohexyl]propanamide
CID 64017815
N-(4-aminocyclohexyl)-2-methyl-2-methylsulfonylpropanamide
CID 64019259
N-cyclohexyl-2-methyl-2-methylsulfonylpropanamide
CID 64089204
N-(4-aminocyclohexyl)-2-methyl-2-methylsulfonyl-N-propylpropanamide
CID 79111577
N-(4-aminocyclohexyl)-N-ethyl-2-methyl-2-methylsulfonylpropanamide
CID 79115846

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-2-[4-(methylamino)cyclohexyl]-1,1-dioxothiazetidin-3-one?
The IUPAC name of 4,4-dimethyl-2-[4-(methylamino)cyclohexyl]-1,1-dioxothiazetidin-3-one (CID 79873810) is 4,4-dimethyl-2-[4-(methylamino)cyclohexyl]-1,1-dioxothiazetidin-3-one.
What is the SMILES notation for 4,4-dimethyl-2-[4-(methylamino)cyclohexyl]-1,1-dioxothiazetidin-3-one?
The canonical SMILES for 4,4-dimethyl-2-[4-(methylamino)cyclohexyl]-1,1-dioxothiazetidin-3-one is CNC1CCC(N2C(=O)C(C)(C)S2(=O)=O)CC1.
What is the InChIKey of 4,4-dimethyl-2-[4-(methylamino)cyclohexyl]-1,1-dioxothiazetidin-3-one?
The InChIKey is OMADMMCSHPNOBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3S/c1-11(2)10(14)13(17(11,15)16)9-6-4-8(12-3)5-7-9/h8-9,12H,4-7H2,1-3H3.
What are the key properties of 4,4-dimethyl-2-[4-(methylamino)cyclohexyl]-1,1-dioxothiazetidin-3-one?
4,4-dimethyl-2-[4-(methylamino)cyclohexyl]-1,1-dioxothiazetidin-3-one has a molecular weight of 260.36 g/mol, XLogP of 0.47, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-2-[4-(methylamino)cyclohexyl]-1,1-dioxothiazetidin-3-one is sourced from PubChem (CID 79873810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).