1-(ethylamino)-N-(3,3,5,5-tetramethylcyclohexyl)propane-2-sulfonamide

C15H32N2O2S — CID 106077364

IUPAC1-(ethylamino)-N-(3,3,5,5-tetramethylcyclohexyl)propane-2-sulfonamide
SMILESCCNCC(C)S(=O)(=O)NC1CC(C)(C)CC(C)(C)C1
InChIInChI=1S/C15H32N2O2S/c1-7-16-10-12(2)20(18,19)17-13-8-14(3,4)11-15(5,6)9-13/h12-13,16-17H,7-11H2,1-6H3
InChIKeySGLHTGMQJQAUQD-UHFFFAOYSA-N
MW304.50 g/mol
LogP2.51
Rot. Bonds6

About 1-(ethylamino)-N-(3,3,5,5-tetramethylcyclohexyl)propane-2-sulfonamide

1-(ethylamino)-N-(3,3,5,5-tetramethylcyclohexyl)propane-2-sulfonamide (PubChem CID 106077364) has the molecular formula C15H32N2O2S and a molecular weight of 304.50 g/mol. Its IUPAC name is 1-(ethylamino)-N-(3,3,5,5-tetramethylcyclohexyl)propane-2-sulfonamide.

Molecular Properties

Compound Name1-(ethylamino)-N-(3,3,5,5-tetramethylcyclohexyl)propane-2-sulfonamide
PubChem CID106077364
Molecular FormulaC15H32N2O2S
Molecular Weight304.50 g/mol
Exact Mass304.22
IUPAC Name1-(ethylamino)-N-(3,3,5,5-tetramethylcyclohexyl)propane-2-sulfonamide
SMILESCCNCC(C)S(=O)(=O)NC1CC(C)(C)CC(C)(C)C1
InChIInChI=1S/C15H32N2O2S/c1-7-16-10-12(2)20(18,19)17-13-8-14(3,4)11-15(5,6)9-13/h12-13,16-17H,7-11H2,1-6H3
InChIKeySGLHTGMQJQAUQD-UHFFFAOYSA-N
XLogP2.51
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.50
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(propylamino)-N-(3,3,5,5-tetramethylcyclohexyl)propane-2-sulfonamide
CID 106077363
N-(2,2-dimethyloxan-4-yl)-1-(ethylamino)propane-2-sulfonamide
CID 106075173
1-(ethylamino)-N-(thian-4-yl)propane-2-sulfonamide
CID 106084518
1-(ethylamino)-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)propane-2-sulfonamide
CID 106019118
1-(ethylamino)-N-(oxolan-3-yl)propane-2-sulfonamide
CID 106072560
N-(2,3-dimethylcyclohexyl)-1-(ethylamino)propane-2-sulfonamide
CID 106060304
1-(ethylamino)-N-[(1-methylcyclohexyl)methyl]propane-2-sulfonamide
CID 114095179
N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-1-(ethylamino)propane-2-sulfonamide
CID 106004615
N-cyclohexylbutane-2-sulfonamide
CID 59716186
2-[(3,3,5,5-tetramethylcyclohexyl)sulfamoyl]acetic acid
CID 103965500
N-(3,3-dimethylbutyl)-1-(ethylamino)propane-2-sulfonamide
CID 106085654
N-(3,4-dimethylcyclohexyl)-1-(propylamino)propane-2-sulfonamide
CID 106067403

Frequently Asked Questions

What is the IUPAC name of 1-(ethylamino)-N-(3,3,5,5-tetramethylcyclohexyl)propane-2-sulfonamide?
The IUPAC name of 1-(ethylamino)-N-(3,3,5,5-tetramethylcyclohexyl)propane-2-sulfonamide (CID 106077364) is 1-(ethylamino)-N-(3,3,5,5-tetramethylcyclohexyl)propane-2-sulfonamide.
What is the SMILES notation for 1-(ethylamino)-N-(3,3,5,5-tetramethylcyclohexyl)propane-2-sulfonamide?
The canonical SMILES for 1-(ethylamino)-N-(3,3,5,5-tetramethylcyclohexyl)propane-2-sulfonamide is CCNCC(C)S(=O)(=O)NC1CC(C)(C)CC(C)(C)C1.
What is the InChIKey of 1-(ethylamino)-N-(3,3,5,5-tetramethylcyclohexyl)propane-2-sulfonamide?
The InChIKey is SGLHTGMQJQAUQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2O2S/c1-7-16-10-12(2)20(18,19)17-13-8-14(3,4)11-15(5,6)9-13/h12-13,16-17H,7-11H2,1-6H3.
What are the key properties of 1-(ethylamino)-N-(3,3,5,5-tetramethylcyclohexyl)propane-2-sulfonamide?
1-(ethylamino)-N-(3,3,5,5-tetramethylcyclohexyl)propane-2-sulfonamide has a molecular weight of 304.50 g/mol, XLogP of 2.51, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(ethylamino)-N-(3,3,5,5-tetramethylcyclohexyl)propane-2-sulfonamide is sourced from PubChem (CID 106077364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).