N-[[1-(dimethylamino)cyclohexyl]methyl]-2-methoxyethanesulfonamide

C12H26N2O3S — CID 56790202

IUPACN-[[1-(dimethylamino)cyclohexyl]methyl]-2-methoxyethanesulfonamide
SMILESCOCCS(=O)(=O)NCC1(N(C)C)CCCCC1
InChIInChI=1S/C12H26N2O3S/c1-14(2)12(7-5-4-6-8-12)11-13-18(15,16)10-9-17-3/h13H,4-11H2,1-3H3
InChIKeyHPOTXGATZDGSTE-UHFFFAOYSA-N
MW278.42 g/mol
LogP0.82
Rot. Bonds7

About N-[[1-(dimethylamino)cyclohexyl]methyl]-2-methoxyethanesulfonamide

N-[[1-(dimethylamino)cyclohexyl]methyl]-2-methoxyethanesulfonamide (PubChem CID 56790202) has the molecular formula C12H26N2O3S and a molecular weight of 278.42 g/mol. Its IUPAC name is N-[[1-(dimethylamino)cyclohexyl]methyl]-2-methoxyethanesulfonamide.

Molecular Properties

Compound NameN-[[1-(dimethylamino)cyclohexyl]methyl]-2-methoxyethanesulfonamide
PubChem CID56790202
Molecular FormulaC12H26N2O3S
Molecular Weight278.42 g/mol
Exact Mass278.17
IUPAC NameN-[[1-(dimethylamino)cyclohexyl]methyl]-2-methoxyethanesulfonamide
SMILESCOCCS(=O)(=O)NCC1(N(C)C)CCCCC1
InChIInChI=1S/C12H26N2O3S/c1-14(2)12(7-5-4-6-8-12)11-13-18(15,16)10-9-17-3/h13H,4-11H2,1-3H3
InChIKeyHPOTXGATZDGSTE-UHFFFAOYSA-N
XLogP0.82
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-morpholin-4-ylcyclohexyl)methyl]propane-1-sulfonamide
CID 78793817
N-[(1-aminocyclohexyl)methyl]-2-propan-2-yloxyethanesulfonamide
CID 79594656
N-({1-[ethyl(methyl)amino]cyclohexyl}methyl)-2-methylpropane-1-sulfonamide
CID 131936428
[1-(4-Propylsulfonylpiperazin-1-yl)cyclohexyl]methanamine
CID 58561727
N-methyl-N-[[1-(methylamino)cyclohexyl]methyl]propane-2-sulfonamide
CID 70870749
N-methyl-N-[[1-(methylamino)cyclohexyl]methyl]ethanesulfonamide
CID 70870756
N-[(1-morpholin-4-ylcyclohexyl)methyl]butane-1-sulfonamide
CID 35764241
N-[1-(aminomethyl)-4-methylcyclohexyl]-2-methoxyethanesulfonamide
CID 55009782
N-[1-(aminomethyl)cyclopentyl]-N-methyloxane-4-sulfonamide
CID 55031343
N-[1-(aminomethyl)cyclohexyl]-N-ethyl-3-methoxypropane-1-sulfonamide
CID 55172685
N-[1-(aminomethyl)cyclopentyl]-3-methoxy-N-methylpropane-1-sulfonamide
CID 55172877
N-[3-(aminomethyl)pentan-3-yl]-3-methoxy-N-propylpropane-1-sulfonamide
CID 55172879

Frequently Asked Questions

What is the IUPAC name of N-[[1-(dimethylamino)cyclohexyl]methyl]-2-methoxyethanesulfonamide?
The IUPAC name of N-[[1-(dimethylamino)cyclohexyl]methyl]-2-methoxyethanesulfonamide (CID 56790202) is N-[[1-(dimethylamino)cyclohexyl]methyl]-2-methoxyethanesulfonamide.
What is the SMILES notation for N-[[1-(dimethylamino)cyclohexyl]methyl]-2-methoxyethanesulfonamide?
The canonical SMILES for N-[[1-(dimethylamino)cyclohexyl]methyl]-2-methoxyethanesulfonamide is COCCS(=O)(=O)NCC1(N(C)C)CCCCC1.
What is the InChIKey of N-[[1-(dimethylamino)cyclohexyl]methyl]-2-methoxyethanesulfonamide?
The InChIKey is HPOTXGATZDGSTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O3S/c1-14(2)12(7-5-4-6-8-12)11-13-18(15,16)10-9-17-3/h13H,4-11H2,1-3H3.
What are the key properties of N-[[1-(dimethylamino)cyclohexyl]methyl]-2-methoxyethanesulfonamide?
N-[[1-(dimethylamino)cyclohexyl]methyl]-2-methoxyethanesulfonamide has a molecular weight of 278.42 g/mol, XLogP of 0.82, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(dimethylamino)cyclohexyl]methyl]-2-methoxyethanesulfonamide is sourced from PubChem (CID 56790202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).