N-methyl-N-[4-(methylamino)cyclohexyl]-1-(oxolan-2-yl)methanesulfonamide

C13H26N2O3S — CID 79122258

IUPACN-methyl-N-[4-(methylamino)cyclohexyl]-1-(oxolan-2-yl)methanesulfonamide
SMILESCNC1CCC(N(C)S(=O)(=O)CC2CCCO2)CC1
InChIInChI=1S/C13H26N2O3S/c1-14-11-5-7-12(8-6-11)15(2)19(16,17)10-13-4-3-9-18-13/h11-14H,3-10H2,1-2H3
InChIKeyCCZWFQXZSDDZCC-UHFFFAOYSA-N
MW290.43 g/mol
LogP0.96
Rot. Bonds5

About N-methyl-N-[4-(methylamino)cyclohexyl]-1-(oxolan-2-yl)methanesulfonamide

N-methyl-N-[4-(methylamino)cyclohexyl]-1-(oxolan-2-yl)methanesulfonamide (PubChem CID 79122258) has the molecular formula C13H26N2O3S and a molecular weight of 290.43 g/mol. Its IUPAC name is N-methyl-N-[4-(methylamino)cyclohexyl]-1-(oxolan-2-yl)methanesulfonamide.

Molecular Properties

Compound NameN-methyl-N-[4-(methylamino)cyclohexyl]-1-(oxolan-2-yl)methanesulfonamide
PubChem CID79122258
Molecular FormulaC13H26N2O3S
Molecular Weight290.43 g/mol
Exact Mass290.17
IUPAC NameN-methyl-N-[4-(methylamino)cyclohexyl]-1-(oxolan-2-yl)methanesulfonamide
SMILESCNC1CCC(N(C)S(=O)(=O)CC2CCCO2)CC1
InChIInChI=1S/C13H26N2O3S/c1-14-11-5-7-12(8-6-11)15(2)19(16,17)10-13-4-3-9-18-13/h11-14H,3-10H2,1-2H3
InChIKeyCCZWFQXZSDDZCC-UHFFFAOYSA-N
XLogP0.96
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(ethylamino)cyclohexyl]-N-methyl-1-(oxolan-2-yl)methanesulfonamide
CID 79123098
1-cyclopropyl-N-methyl-N-[4-(methylamino)cyclohexyl]methanesulfonamide
CID 79122184
1-N,4-N-dimethyl-4-N-(oxan-2-ylmethyl)cyclohexane-1,4-diamine
CID 79122440
(2R)-2-(methylsulfonylmethyl)oxolane
CID 68993549
N-(3-bromopropyl)-N-methyl-1-(oxolan-2-yl)methanesulfonamide
CID 106441751
N-(1-chloropropan-2-yl)-N-methyl-1-(oxolan-2-yl)methanesulfonamide
CID 104556477
1-N-methyl-4-N-(oxolan-2-ylmethyl)cyclohexane-1,4-diamine
CID 117027418
4-[methyl(oxolan-2-ylmethylsulfonyl)amino]benzoic acid
CID 104698285
N-methyl-1-(oxolan-2-ylmethylsulfonyl)pyrrolidin-3-amine;hydrochloride
CID 119962995
N-(2-hydroxyethyl)-1-(oxolan-2-yl)-N-propan-2-ylmethanesulfonamide
CID 63247520
methyl 4-(oxolan-2-ylmethylsulfonylamino)cyclohexane-1-carboxylate
CID 115617300
4-N-(diethylsulfamoyl)-1-N,4-N-dimethylcyclohexane-1,4-diamine
CID 79122644

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[4-(methylamino)cyclohexyl]-1-(oxolan-2-yl)methanesulfonamide?
The IUPAC name of N-methyl-N-[4-(methylamino)cyclohexyl]-1-(oxolan-2-yl)methanesulfonamide (CID 79122258) is N-methyl-N-[4-(methylamino)cyclohexyl]-1-(oxolan-2-yl)methanesulfonamide.
What is the SMILES notation for N-methyl-N-[4-(methylamino)cyclohexyl]-1-(oxolan-2-yl)methanesulfonamide?
The canonical SMILES for N-methyl-N-[4-(methylamino)cyclohexyl]-1-(oxolan-2-yl)methanesulfonamide is CNC1CCC(N(C)S(=O)(=O)CC2CCCO2)CC1.
What is the InChIKey of N-methyl-N-[4-(methylamino)cyclohexyl]-1-(oxolan-2-yl)methanesulfonamide?
The InChIKey is CCZWFQXZSDDZCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O3S/c1-14-11-5-7-12(8-6-11)15(2)19(16,17)10-13-4-3-9-18-13/h11-14H,3-10H2,1-2H3.
What are the key properties of N-methyl-N-[4-(methylamino)cyclohexyl]-1-(oxolan-2-yl)methanesulfonamide?
N-methyl-N-[4-(methylamino)cyclohexyl]-1-(oxolan-2-yl)methanesulfonamide has a molecular weight of 290.43 g/mol, XLogP of 0.96, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[4-(methylamino)cyclohexyl]-1-(oxolan-2-yl)methanesulfonamide is sourced from PubChem (CID 79122258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).