N-(2,3-dimethylcyclohexyl)-2-(ethylamino)ethanesulfonamide

C12H26N2O2S — CID 54973707

IUPACN-(2,3-dimethylcyclohexyl)-2-(ethylamino)ethanesulfonamide
SMILESCCNCCS(=O)(=O)NC1CCCC(C)C1C
InChIInChI=1S/C12H26N2O2S/c1-4-13-8-9-17(15,16)14-12-7-5-6-10(2)11(12)3/h10-14H,4-9H2,1-3H3
InChIKeyIKXINCDEFGUKFG-UHFFFAOYSA-N
MW262.42 g/mol
LogP1.34
Rot. Bonds6

About N-(2,3-dimethylcyclohexyl)-2-(ethylamino)ethanesulfonamide

N-(2,3-dimethylcyclohexyl)-2-(ethylamino)ethanesulfonamide (PubChem CID 54973707) has the molecular formula C12H26N2O2S and a molecular weight of 262.42 g/mol. Its IUPAC name is N-(2,3-dimethylcyclohexyl)-2-(ethylamino)ethanesulfonamide.

Molecular Properties

Compound NameN-(2,3-dimethylcyclohexyl)-2-(ethylamino)ethanesulfonamide
PubChem CID54973707
Molecular FormulaC12H26N2O2S
Molecular Weight262.42 g/mol
Exact Mass262.17
IUPAC NameN-(2,3-dimethylcyclohexyl)-2-(ethylamino)ethanesulfonamide
SMILESCCNCCS(=O)(=O)NC1CCCC(C)C1C
InChIInChI=1S/C12H26N2O2S/c1-4-13-8-9-17(15,16)14-12-7-5-6-10(2)11(12)3/h10-14H,4-9H2,1-3H3
InChIKeyIKXINCDEFGUKFG-UHFFFAOYSA-N
XLogP1.34
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.42
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-amino-N-(2,3-dimethylcyclohexyl)propane-1-sulfonamide
CID 60909960
4-(cyclopropylamino)-N-(2,3-dimethylcyclohexyl)butane-1-sulfonamide
CID 106060306
N-(2,3-dimethylcyclopentyl)propane-1-sulfonamide
CID 64923274
N-(2,3-dimethylcyclohexyl)-1-(ethylamino)propane-2-sulfonamide
CID 106060304
(2S)-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-2-methylbutane-1-sulfonamide
CID 124727118
N-(2-methylcyclopentyl)-4-(propylamino)butane-1-sulfonamide
CID 106064340
2-amino-N-(2-methylcyclopentyl)ethanesulfonamide
CID 63281586
2-chloro-N-(2,3-dimethylcyclopentyl)ethanesulfonamide
CID 107652077
3-(methylamino)-N-(2-methylcyclopentyl)propane-1-sulfonamide
CID 106064308
4-(cyclopropylamino)-N-(2-methylcyclopentyl)butane-1-sulfonamide
CID 106064397
(1R,2S,3R)-1-[[butyl(methyl)sulfamoyl]amino]-2,3-dimethylcyclohexane
CID 99849696
N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]formamide
CID 129431064

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylcyclohexyl)-2-(ethylamino)ethanesulfonamide?
The IUPAC name of N-(2,3-dimethylcyclohexyl)-2-(ethylamino)ethanesulfonamide (CID 54973707) is N-(2,3-dimethylcyclohexyl)-2-(ethylamino)ethanesulfonamide.
What is the SMILES notation for N-(2,3-dimethylcyclohexyl)-2-(ethylamino)ethanesulfonamide?
The canonical SMILES for N-(2,3-dimethylcyclohexyl)-2-(ethylamino)ethanesulfonamide is CCNCCS(=O)(=O)NC1CCCC(C)C1C.
What is the InChIKey of N-(2,3-dimethylcyclohexyl)-2-(ethylamino)ethanesulfonamide?
The InChIKey is IKXINCDEFGUKFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2S/c1-4-13-8-9-17(15,16)14-12-7-5-6-10(2)11(12)3/h10-14H,4-9H2,1-3H3.
What are the key properties of N-(2,3-dimethylcyclohexyl)-2-(ethylamino)ethanesulfonamide?
N-(2,3-dimethylcyclohexyl)-2-(ethylamino)ethanesulfonamide has a molecular weight of 262.42 g/mol, XLogP of 1.34, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylcyclohexyl)-2-(ethylamino)ethanesulfonamide is sourced from PubChem (CID 54973707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).