1-(ethylamino)-N-[(1-methylcyclohexyl)methyl]propane-2-sulfonamide

C13H28N2O2S — CID 114095179

IUPAC1-(ethylamino)-N-[(1-methylcyclohexyl)methyl]propane-2-sulfonamide
SMILESCCNCC(C)S(=O)(=O)NCC1(C)CCCCC1
InChIInChI=1S/C13H28N2O2S/c1-4-14-10-12(2)18(16,17)15-11-13(3)8-6-5-7-9-13/h12,14-15H,4-11H2,1-3H3
InChIKeyNXUDBYULMXXYOW-UHFFFAOYSA-N
MW276.45 g/mol
LogP1.87
Rot. Bonds7

About 1-(ethylamino)-N-[(1-methylcyclohexyl)methyl]propane-2-sulfonamide

1-(ethylamino)-N-[(1-methylcyclohexyl)methyl]propane-2-sulfonamide (PubChem CID 114095179) has the molecular formula C13H28N2O2S and a molecular weight of 276.45 g/mol. Its IUPAC name is 1-(ethylamino)-N-[(1-methylcyclohexyl)methyl]propane-2-sulfonamide.

Molecular Properties

Compound Name1-(ethylamino)-N-[(1-methylcyclohexyl)methyl]propane-2-sulfonamide
PubChem CID114095179
Molecular FormulaC13H28N2O2S
Molecular Weight276.45 g/mol
Exact Mass276.19
IUPAC Name1-(ethylamino)-N-[(1-methylcyclohexyl)methyl]propane-2-sulfonamide
SMILESCCNCC(C)S(=O)(=O)NCC1(C)CCCCC1
InChIInChI=1S/C13H28N2O2S/c1-4-14-10-12(2)18(16,17)15-11-13(3)8-6-5-7-9-13/h12,14-15H,4-11H2,1-3H3
InChIKeyNXUDBYULMXXYOW-UHFFFAOYSA-N
XLogP1.87
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.45
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-2-methyl-N'-[(1-methylcyclopentyl)methyl]propane-1,3-diamine
CID 63829803
1-(ethylamino)-N-(2-pyrrolidin-1-ylpropyl)propane-2-sulfonamide
CID 106073122
N-[2-(dimethylamino)propyl]-1-(ethylamino)propane-2-sulfonamide
CID 106017341
N-(3,3-dimethylbutyl)-1-(ethylamino)propane-2-sulfonamide
CID 106085654
1-N-[(1-methylcyclopentyl)methyl]propane-1,2-diamine
CID 63831246
1-(ethylamino)-N-(3,3,5,5-tetramethylcyclohexyl)propane-2-sulfonamide
CID 106077364
N-[[1-(dimethylamino)cyclobutyl]methyl]-1-(propan-2-ylamino)propane-2-sulfonamide
CID 106087102
N'-[(1-methylcyclohexyl)methyl]-N-(2-methylpropyl)ethane-1,2-diamine
CID 106827227
1-(ethylamino)-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)propane-2-sulfonamide
CID 106019118
2-methyl-N-[(1-methylcyclobutyl)methyl]propan-1-amine
CID 65196169
1-(ethylamino)-N-(6-methylsulfanylhexyl)propane-2-sulfonamide
CID 106090471
1-amino-N-[(1-methylsulfanylcyclohexyl)methyl]propane-2-sulfonamide
CID 106092399

Frequently Asked Questions

What is the IUPAC name of 1-(ethylamino)-N-[(1-methylcyclohexyl)methyl]propane-2-sulfonamide?
The IUPAC name of 1-(ethylamino)-N-[(1-methylcyclohexyl)methyl]propane-2-sulfonamide (CID 114095179) is 1-(ethylamino)-N-[(1-methylcyclohexyl)methyl]propane-2-sulfonamide.
What is the SMILES notation for 1-(ethylamino)-N-[(1-methylcyclohexyl)methyl]propane-2-sulfonamide?
The canonical SMILES for 1-(ethylamino)-N-[(1-methylcyclohexyl)methyl]propane-2-sulfonamide is CCNCC(C)S(=O)(=O)NCC1(C)CCCCC1.
What is the InChIKey of 1-(ethylamino)-N-[(1-methylcyclohexyl)methyl]propane-2-sulfonamide?
The InChIKey is NXUDBYULMXXYOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O2S/c1-4-14-10-12(2)18(16,17)15-11-13(3)8-6-5-7-9-13/h12,14-15H,4-11H2,1-3H3.
What are the key properties of 1-(ethylamino)-N-[(1-methylcyclohexyl)methyl]propane-2-sulfonamide?
1-(ethylamino)-N-[(1-methylcyclohexyl)methyl]propane-2-sulfonamide has a molecular weight of 276.45 g/mol, XLogP of 1.87, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(ethylamino)-N-[(1-methylcyclohexyl)methyl]propane-2-sulfonamide is sourced from PubChem (CID 114095179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).