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

C14H28N2O3S — CID 79123098

IUPACN-[4-(ethylamino)cyclohexyl]-N-methyl-1-(oxolan-2-yl)methanesulfonamide
SMILESCCNC1CCC(N(C)S(=O)(=O)CC2CCCO2)CC1
InChIInChI=1S/C14H28N2O3S/c1-3-15-12-6-8-13(9-7-12)16(2)20(17,18)11-14-5-4-10-19-14/h12-15H,3-11H2,1-2H3
InChIKeyWQGRCNKCHAXUCE-UHFFFAOYSA-N
MW304.46 g/mol
LogP1.35
Rot. Bonds6

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

N-[4-(ethylamino)cyclohexyl]-N-methyl-1-(oxolan-2-yl)methanesulfonamide (PubChem CID 79123098) has the molecular formula C14H28N2O3S and a molecular weight of 304.46 g/mol. Its IUPAC name is N-[4-(ethylamino)cyclohexyl]-N-methyl-1-(oxolan-2-yl)methanesulfonamide.

Molecular Properties

Compound NameN-[4-(ethylamino)cyclohexyl]-N-methyl-1-(oxolan-2-yl)methanesulfonamide
PubChem CID79123098
Molecular FormulaC14H28N2O3S
Molecular Weight304.46 g/mol
Exact Mass304.18
IUPAC NameN-[4-(ethylamino)cyclohexyl]-N-methyl-1-(oxolan-2-yl)methanesulfonamide
SMILESCCNC1CCC(N(C)S(=O)(=O)CC2CCCO2)CC1
InChIInChI=1S/C14H28N2O3S/c1-3-15-12-6-8-13(9-7-12)16(2)20(17,18)11-14-5-4-10-19-14/h12-15H,3-11H2,1-2H3
InChIKeyWQGRCNKCHAXUCE-UHFFFAOYSA-N
XLogP1.35
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.46
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N-[4-(methylamino)cyclohexyl]-1-(oxolan-2-yl)methanesulfonamide
CID 79122258
2-ethoxy-N-[4-(ethylamino)cyclohexyl]-N-methylethanesulfonamide
CID 79122485
1-cyclopropyl-N-methyl-N-[4-(methylamino)cyclohexyl]methanesulfonamide
CID 79122184
N-(1-chloropropan-2-yl)-N-methyl-1-(oxolan-2-yl)methanesulfonamide
CID 104556477
N-methyl-N-[4-(propylamino)cyclohexyl]propane-1-sulfonamide
CID 79122875
(2R)-2-ethyloxolane
CID 641529
N-ethyl-1-(oxolan-2-yl)-N-piperidin-3-ylmethanesulfonamide
CID 63246657
N-ethyl-N-(2-hydroxy-2-methylpropyl)-1-(oxolan-2-yl)methanesulfonamide
CID 79387072
(2R)-2-(methylsulfonylmethyl)oxolane
CID 68993549
N-(3-bromopropyl)-N-methyl-1-(oxolan-2-yl)methanesulfonamide
CID 106441751
azane;2-ethyloxolane
CID 174465001
N-cyclopropyl-1-(oxolan-2-yl)-N-(pyrrolidin-2-ylmethyl)methanesulfonamide
CID 106599566

Frequently Asked Questions

What is the IUPAC name of N-[4-(ethylamino)cyclohexyl]-N-methyl-1-(oxolan-2-yl)methanesulfonamide?
The IUPAC name of N-[4-(ethylamino)cyclohexyl]-N-methyl-1-(oxolan-2-yl)methanesulfonamide (CID 79123098) is N-[4-(ethylamino)cyclohexyl]-N-methyl-1-(oxolan-2-yl)methanesulfonamide.
What is the SMILES notation for N-[4-(ethylamino)cyclohexyl]-N-methyl-1-(oxolan-2-yl)methanesulfonamide?
The canonical SMILES for N-[4-(ethylamino)cyclohexyl]-N-methyl-1-(oxolan-2-yl)methanesulfonamide is CCNC1CCC(N(C)S(=O)(=O)CC2CCCO2)CC1.
What is the InChIKey of N-[4-(ethylamino)cyclohexyl]-N-methyl-1-(oxolan-2-yl)methanesulfonamide?
The InChIKey is WQGRCNKCHAXUCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O3S/c1-3-15-12-6-8-13(9-7-12)16(2)20(17,18)11-14-5-4-10-19-14/h12-15H,3-11H2,1-2H3.
What are the key properties of N-[4-(ethylamino)cyclohexyl]-N-methyl-1-(oxolan-2-yl)methanesulfonamide?
N-[4-(ethylamino)cyclohexyl]-N-methyl-1-(oxolan-2-yl)methanesulfonamide has a molecular weight of 304.46 g/mol, XLogP of 1.35, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(ethylamino)cyclohexyl]-N-methyl-1-(oxolan-2-yl)methanesulfonamide is sourced from PubChem (CID 79123098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).