N-ethyl-N-[3-[(2,4,6-trimethylphenyl)methylamino]propyl]methanesulfonamide

C16H28N2O2S — CID 61013654

IUPACN-ethyl-N-[3-[(2,4,6-trimethylphenyl)methylamino]propyl]methanesulfonamide
SMILESCCN(CCCNCc1c(C)cc(C)cc1C)S(C)(=O)=O
InChIInChI=1S/C16H28N2O2S/c1-6-18(21(5,19)20)9-7-8-17-12-16-14(3)10-13(2)11-15(16)4/h10-11,17H,6-9,12H2,1-5H3
InChIKeyVOTSSWUCWVQBFQ-UHFFFAOYSA-N
MW312.48 g/mol
LogP2.37
Rot. Bonds8

About N-ethyl-N-[3-[(2,4,6-trimethylphenyl)methylamino]propyl]methanesulfonamide

N-ethyl-N-[3-[(2,4,6-trimethylphenyl)methylamino]propyl]methanesulfonamide (PubChem CID 61013654) has the molecular formula C16H28N2O2S and a molecular weight of 312.48 g/mol. Its IUPAC name is N-ethyl-N-[3-[(2,4,6-trimethylphenyl)methylamino]propyl]methanesulfonamide.

Molecular Properties

Compound NameN-ethyl-N-[3-[(2,4,6-trimethylphenyl)methylamino]propyl]methanesulfonamide
PubChem CID61013654
Molecular FormulaC16H28N2O2S
Molecular Weight312.48 g/mol
Exact Mass312.19
IUPAC NameN-ethyl-N-[3-[(2,4,6-trimethylphenyl)methylamino]propyl]methanesulfonamide
SMILESCCN(CCCNCc1c(C)cc(C)cc1C)S(C)(=O)=O
InChIInChI=1S/C16H28N2O2S/c1-6-18(21(5,19)20)9-7-8-17-12-16-14(3)10-13(2)11-15(16)4/h10-11,17H,6-9,12H2,1-5H3
InChIKeyVOTSSWUCWVQBFQ-UHFFFAOYSA-N
XLogP2.37
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.48
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-N-[3-[(4-methylphenyl)methylamino]propyl]methanesulfonamide
CID 54903483
N-ethyl-N-[3-[(2-methylphenyl)methylamino]propyl]methanesulfonamide
CID 54903438
N-ethyl-N-[3-[(3-methylfuran-2-yl)methylamino]propyl]methanesulfonamide
CID 115652579
N-ethyl-N-[3-(3-ethylsulfonylpropylamino)propyl]methanesulfonamide
CID 65093412
N-ethyl-N-[3-(thiadiazol-4-ylmethylamino)propyl]methanesulfonamide
CID 54903680
N-ethyl-N-[3-[(4-nitrophenyl)methylamino]propyl]methanesulfonamide
CID 61014886
2-[(2,4,6-trimethylphenyl)methylamino]ethanesulfonamide
CID 43551978
4-iodo-N-[(2,4,6-trimethylphenyl)methyl]butan-1-amine
CID 106844682
3-methylsulfinyl-N-[(2,4,6-trimethylphenyl)methyl]propan-1-amine
CID 115632922
3-[[3-[ethyl(methylsulfonyl)amino]propylamino]methyl]furan-2-carboxylic acid
CID 103241515
N-[3-[(2-chloro-3-fluorophenyl)methylamino]propyl]-N-ethylmethanesulfonamide
CID 115982817
N-ethyl-N-[3-[(3-propan-2-ylimidazol-4-yl)methylamino]propyl]methanesulfonamide
CID 66164749

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[3-[(2,4,6-trimethylphenyl)methylamino]propyl]methanesulfonamide?
The IUPAC name of N-ethyl-N-[3-[(2,4,6-trimethylphenyl)methylamino]propyl]methanesulfonamide (CID 61013654) is N-ethyl-N-[3-[(2,4,6-trimethylphenyl)methylamino]propyl]methanesulfonamide.
What is the SMILES notation for N-ethyl-N-[3-[(2,4,6-trimethylphenyl)methylamino]propyl]methanesulfonamide?
The canonical SMILES for N-ethyl-N-[3-[(2,4,6-trimethylphenyl)methylamino]propyl]methanesulfonamide is CCN(CCCNCc1c(C)cc(C)cc1C)S(C)(=O)=O.
What is the InChIKey of N-ethyl-N-[3-[(2,4,6-trimethylphenyl)methylamino]propyl]methanesulfonamide?
The InChIKey is VOTSSWUCWVQBFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O2S/c1-6-18(21(5,19)20)9-7-8-17-12-16-14(3)10-13(2)11-15(16)4/h10-11,17H,6-9,12H2,1-5H3.
What are the key properties of N-ethyl-N-[3-[(2,4,6-trimethylphenyl)methylamino]propyl]methanesulfonamide?
N-ethyl-N-[3-[(2,4,6-trimethylphenyl)methylamino]propyl]methanesulfonamide has a molecular weight of 312.48 g/mol, XLogP of 2.37, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[3-[(2,4,6-trimethylphenyl)methylamino]propyl]methanesulfonamide is sourced from PubChem (CID 61013654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).