N-(2,3-dimethylcyclohexyl)-1-(ethylamino)propane-2-sulfonamide

C13H28N2O2S — CID 106060304

IUPACN-(2,3-dimethylcyclohexyl)-1-(ethylamino)propane-2-sulfonamide
SMILESCCNCC(C)S(=O)(=O)NC1CCCC(C)C1C
InChIInChI=1S/C13H28N2O2S/c1-5-14-9-11(3)18(16,17)15-13-8-6-7-10(2)12(13)4/h10-15H,5-9H2,1-4H3
InChIKeyMZMLCXMGOFUHCR-UHFFFAOYSA-N
MW276.45 g/mol
LogP1.73
Rot. Bonds6

About N-(2,3-dimethylcyclohexyl)-1-(ethylamino)propane-2-sulfonamide

N-(2,3-dimethylcyclohexyl)-1-(ethylamino)propane-2-sulfonamide (PubChem CID 106060304) has the molecular formula C13H28N2O2S and a molecular weight of 276.45 g/mol. Its IUPAC name is N-(2,3-dimethylcyclohexyl)-1-(ethylamino)propane-2-sulfonamide.

Molecular Properties

Compound NameN-(2,3-dimethylcyclohexyl)-1-(ethylamino)propane-2-sulfonamide
PubChem CID106060304
Molecular FormulaC13H28N2O2S
Molecular Weight276.45 g/mol
Exact Mass276.19
IUPAC NameN-(2,3-dimethylcyclohexyl)-1-(ethylamino)propane-2-sulfonamide
SMILESCCNCC(C)S(=O)(=O)NC1CCCC(C)C1C
InChIInChI=1S/C13H28N2O2S/c1-5-14-9-11(3)18(16,17)15-13-8-6-7-10(2)12(13)4/h10-15H,5-9H2,1-4H3
InChIKeyMZMLCXMGOFUHCR-UHFFFAOYSA-N
XLogP1.73
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.45
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,3-dimethylcyclopentyl)-1-(propylamino)propane-2-sulfonamide
CID 106069157
N-(2,3-dimethylcyclohexyl)-2-(ethylamino)ethanesulfonamide
CID 54973707
N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-1-(ethylamino)propane-2-sulfonamide
CID 106004615
N-(2-methylcyclohexyl)-1-(propan-2-ylamino)propane-2-sulfonamide
CID 114132164
(2S)-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-2-methylbutane-1-sulfonamide
CID 124727118
1-(ethylamino)-N-(thian-4-yl)propane-2-sulfonamide
CID 106084518
1-(ethylamino)-N-(oxolan-3-yl)propane-2-sulfonamide
CID 106072560
1-(ethylamino)-N-(3,3,5,5-tetramethylcyclohexyl)propane-2-sulfonamide
CID 106077364
(1R,2S,3R)-1-[[butyl(methyl)sulfamoyl]amino]-2,3-dimethylcyclohexane
CID 99849696
N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]formamide
CID 129431064
N-(2,2-dimethyloxan-4-yl)-1-(ethylamino)propane-2-sulfonamide
CID 106075173
(1R,2R,3S)-N-[(2S)-butan-2-yl]-2,3-dimethylcyclohexan-1-amine
CID 124710315

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylcyclohexyl)-1-(ethylamino)propane-2-sulfonamide?
The IUPAC name of N-(2,3-dimethylcyclohexyl)-1-(ethylamino)propane-2-sulfonamide (CID 106060304) is N-(2,3-dimethylcyclohexyl)-1-(ethylamino)propane-2-sulfonamide.
What is the SMILES notation for N-(2,3-dimethylcyclohexyl)-1-(ethylamino)propane-2-sulfonamide?
The canonical SMILES for N-(2,3-dimethylcyclohexyl)-1-(ethylamino)propane-2-sulfonamide is CCNCC(C)S(=O)(=O)NC1CCCC(C)C1C.
What is the InChIKey of N-(2,3-dimethylcyclohexyl)-1-(ethylamino)propane-2-sulfonamide?
The InChIKey is MZMLCXMGOFUHCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O2S/c1-5-14-9-11(3)18(16,17)15-13-8-6-7-10(2)12(13)4/h10-15H,5-9H2,1-4H3.
What are the key properties of N-(2,3-dimethylcyclohexyl)-1-(ethylamino)propane-2-sulfonamide?
N-(2,3-dimethylcyclohexyl)-1-(ethylamino)propane-2-sulfonamide has a molecular weight of 276.45 g/mol, XLogP of 1.73, 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)-1-(ethylamino)propane-2-sulfonamide is sourced from PubChem (CID 106060304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).