N-methyl-N-[[1-(propan-2-ylamino)cyclohexyl]methyl]ethanesulfonamide

C13H28N2O2S — CID 58821714

IUPACN-methyl-N-[[1-(propan-2-ylamino)cyclohexyl]methyl]ethanesulfonamide
SMILESCCS(=O)(=O)N(C)CC1(NC(C)C)CCCCC1
InChIInChI=1S/C13H28N2O2S/c1-5-18(16,17)15(4)11-13(14-12(2)3)9-7-6-8-10-13/h12,14H,5-11H2,1-4H3
InChIKeyZAHKNFFPOYNMNC-UHFFFAOYSA-N
MW276.45 g/mol
LogP1.97
Rot. Bonds6

About N-methyl-N-[[1-(propan-2-ylamino)cyclohexyl]methyl]ethanesulfonamide

N-methyl-N-[[1-(propan-2-ylamino)cyclohexyl]methyl]ethanesulfonamide (PubChem CID 58821714) has the molecular formula C13H28N2O2S and a molecular weight of 276.45 g/mol. Its IUPAC name is N-methyl-N-[[1-(propan-2-ylamino)cyclohexyl]methyl]ethanesulfonamide.

Molecular Properties

Compound NameN-methyl-N-[[1-(propan-2-ylamino)cyclohexyl]methyl]ethanesulfonamide
PubChem CID58821714
Molecular FormulaC13H28N2O2S
Molecular Weight276.45 g/mol
Exact Mass276.19
IUPAC NameN-methyl-N-[[1-(propan-2-ylamino)cyclohexyl]methyl]ethanesulfonamide
SMILESCCS(=O)(=O)N(C)CC1(NC(C)C)CCCCC1
InChIInChI=1S/C13H28N2O2S/c1-5-18(16,17)15(4)11-13(14-12(2)3)9-7-6-8-10-13/h12,14H,5-11H2,1-4H3
InChIKeyZAHKNFFPOYNMNC-UHFFFAOYSA-N
XLogP1.97
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.45
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-methyl-N-[[1-(propan-2-ylamino)cyclohexyl]methyl]ethanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-cyclohexyl-N-[(3S)-piperidin-3-yl]methanesulfonamide
CID 93870995
N-({1-[ethyl(methyl)amino]cyclohexyl}methyl)-2-methylpropane-1-sulfonamide
CID 131936428
N-[2-methyl-1-[[4-(trifluoromethyl)cyclohexyl]amino]propan-2-yl]methanesulfonamide
CID 64755484
N-[2-methyl-1-[[2-(trifluoromethyl)cyclohexyl]amino]propan-2-yl]methanesulfonamide
CID 64758288
N-[2-methyl-1-[[3-(trifluoromethyl)cyclohexyl]amino]propan-2-yl]methanesulfonamide
CID 64759829
1-(4,4,4-Trifluorobutylsulfonyl)-1,4-diazaspiro[5.5]undecane
CID 83047394
N-[1-(aminomethyl)cyclohexyl]-N-ethyl-4,4,4-trifluorobutane-1-sulfonamide
CID 83048542
N-[1-(aminomethyl)cyclohexyl]-4,4,4-trifluoro-N-methylbutane-1-sulfonamide
CID 83068387
N-ethyl-2-[[3-(trifluoromethyl)cyclohexyl]amino]ethanesulfonamide
CID 102609624
N-methyl-2-[[3-(trifluoromethyl)cyclohexyl]amino]ethanesulfonamide
CID 102674826
N-ethyl-2-[[4-(trifluoromethyl)cyclohexyl]amino]ethanesulfonamide
CID 104844787
N-ethyl-2-[[2-(trifluoromethyl)cyclohexyl]amino]ethanesulfonamide
CID 106334678

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[1-(propan-2-ylamino)cyclohexyl]methyl]ethanesulfonamide?
The IUPAC name of N-methyl-N-[[1-(propan-2-ylamino)cyclohexyl]methyl]ethanesulfonamide (CID 58821714) is N-methyl-N-[[1-(propan-2-ylamino)cyclohexyl]methyl]ethanesulfonamide.
What is the SMILES notation for N-methyl-N-[[1-(propan-2-ylamino)cyclohexyl]methyl]ethanesulfonamide?
The canonical SMILES for N-methyl-N-[[1-(propan-2-ylamino)cyclohexyl]methyl]ethanesulfonamide is CCS(=O)(=O)N(C)CC1(NC(C)C)CCCCC1.
What is the InChIKey of N-methyl-N-[[1-(propan-2-ylamino)cyclohexyl]methyl]ethanesulfonamide?
The InChIKey is ZAHKNFFPOYNMNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O2S/c1-5-18(16,17)15(4)11-13(14-12(2)3)9-7-6-8-10-13/h12,14H,5-11H2,1-4H3.
What are the key properties of N-methyl-N-[[1-(propan-2-ylamino)cyclohexyl]methyl]ethanesulfonamide?
N-methyl-N-[[1-(propan-2-ylamino)cyclohexyl]methyl]ethanesulfonamide has a molecular weight of 276.45 g/mol, XLogP of 1.97, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[1-(propan-2-ylamino)cyclohexyl]methyl]ethanesulfonamide is sourced from PubChem (CID 58821714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).