1-[4-(ethylaminomethyl)phenyl]-N-(3-methylpentan-3-yl)methanesulfonamide

C16H28N2O2S — CID 106331914

IUPAC1-[4-(ethylaminomethyl)phenyl]-N-(3-methylpentan-3-yl)methanesulfonamide
SMILESCCNCc1ccc(CS(=O)(=O)NC(C)(CC)CC)cc1
InChIInChI=1S/C16H28N2O2S/c1-5-16(4,6-2)18-21(19,20)13-15-10-8-14(9-11-15)12-17-7-3/h8-11,17-18H,5-7,12-13H2,1-4H3
InChIKeyDVXLLWBSIFJJQE-UHFFFAOYSA-N
MW312.48 g/mol
LogP2.79
Rot. Bonds9

About 1-[4-(ethylaminomethyl)phenyl]-N-(3-methylpentan-3-yl)methanesulfonamide

1-[4-(ethylaminomethyl)phenyl]-N-(3-methylpentan-3-yl)methanesulfonamide (PubChem CID 106331914) has the molecular formula C16H28N2O2S and a molecular weight of 312.48 g/mol. Its IUPAC name is 1-[4-(ethylaminomethyl)phenyl]-N-(3-methylpentan-3-yl)methanesulfonamide.

Molecular Properties

Compound Name1-[4-(ethylaminomethyl)phenyl]-N-(3-methylpentan-3-yl)methanesulfonamide
PubChem CID106331914
Molecular FormulaC16H28N2O2S
Molecular Weight312.48 g/mol
Exact Mass312.19
IUPAC Name1-[4-(ethylaminomethyl)phenyl]-N-(3-methylpentan-3-yl)methanesulfonamide
SMILESCCNCc1ccc(CS(=O)(=O)NC(C)(CC)CC)cc1
InChIInChI=1S/C16H28N2O2S/c1-5-16(4,6-2)18-21(19,20)13-15-10-8-14(9-11-15)12-17-7-3/h8-11,17-18H,5-7,12-13H2,1-4H3
InChIKeyDVXLLWBSIFJJQE-UHFFFAOYSA-N
XLogP2.79
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.48
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-methylpentan-3-ylsulfamoylmethyl)benzenecarbothioamide
CID 106329112
N-(2-methylbutan-2-yl)-1-[4-(propylaminomethyl)phenyl]methanesulfonamide
CID 106031496
4-[(1-hydroxy-2-methylbutan-2-yl)sulfamoylmethyl]benzoic acid
CID 64549094
4-[(1-hydroxy-3-methylpentan-3-yl)sulfamoylmethyl]benzoic acid
CID 106168479
1-(4-aminophenyl)-N-(2-methylbutan-2-yl)methanesulfonamide
CID 29032685
3-(3-methylpentan-3-ylsulfamoylmethyl)benzenecarbothioamide
CID 106329101
N-[4-(ethylaminomethyl)phenyl]-2-methylpropane-2-sulfonamide
CID 106911292
1-[4-(ethylaminomethyl)phenyl]-N-(4-methoxybutyl)methanesulfonamide
CID 106054025
1-[4-(ethylaminomethyl)phenyl]-N-(2-propan-2-yloxyethyl)methanesulfonamide
CID 106077524
1-[4-(ethylaminomethyl)phenyl]-N-(1,2-oxazol-5-ylmethyl)methanesulfonamide
CID 106423853
1-[4-(ethylaminomethyl)phenyl]-N-(1H-pyrazol-4-ylmethyl)methanesulfonamide
CID 106016045
1-[4-(ethylaminomethyl)phenyl]-N-(1-methoxybutan-2-yl)methanesulfonamide
CID 106068296

Frequently Asked Questions

What is the IUPAC name of 1-[4-(ethylaminomethyl)phenyl]-N-(3-methylpentan-3-yl)methanesulfonamide?
The IUPAC name of 1-[4-(ethylaminomethyl)phenyl]-N-(3-methylpentan-3-yl)methanesulfonamide (CID 106331914) is 1-[4-(ethylaminomethyl)phenyl]-N-(3-methylpentan-3-yl)methanesulfonamide.
What is the SMILES notation for 1-[4-(ethylaminomethyl)phenyl]-N-(3-methylpentan-3-yl)methanesulfonamide?
The canonical SMILES for 1-[4-(ethylaminomethyl)phenyl]-N-(3-methylpentan-3-yl)methanesulfonamide is CCNCc1ccc(CS(=O)(=O)NC(C)(CC)CC)cc1.
What is the InChIKey of 1-[4-(ethylaminomethyl)phenyl]-N-(3-methylpentan-3-yl)methanesulfonamide?
The InChIKey is DVXLLWBSIFJJQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O2S/c1-5-16(4,6-2)18-21(19,20)13-15-10-8-14(9-11-15)12-17-7-3/h8-11,17-18H,5-7,12-13H2,1-4H3.
What are the key properties of 1-[4-(ethylaminomethyl)phenyl]-N-(3-methylpentan-3-yl)methanesulfonamide?
1-[4-(ethylaminomethyl)phenyl]-N-(3-methylpentan-3-yl)methanesulfonamide has a molecular weight of 312.48 g/mol, XLogP of 2.79, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(ethylaminomethyl)phenyl]-N-(3-methylpentan-3-yl)methanesulfonamide is sourced from PubChem (CID 106331914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).