N-(1-cyclobutylethyl)-1-[3-(ethylaminomethyl)phenyl]methanesulfonamide

C16H26N2O2S — CID 106084807

IUPACN-(1-cyclobutylethyl)-1-[3-(ethylaminomethyl)phenyl]methanesulfonamide
SMILESCCNCc1cccc(CS(=O)(=O)NC(C)C2CCC2)c1
InChIInChI=1S/C16H26N2O2S/c1-3-17-11-14-6-4-7-15(10-14)12-21(19,20)18-13(2)16-8-5-9-16/h4,6-7,10,13,16-18H,3,5,8-9,11-12H2,1-2H3
InChIKeyDTQWVJQXCUFWFH-UHFFFAOYSA-N
MW310.46 g/mol
LogP2.40
Rot. Bonds8

About N-(1-cyclobutylethyl)-1-[3-(ethylaminomethyl)phenyl]methanesulfonamide

N-(1-cyclobutylethyl)-1-[3-(ethylaminomethyl)phenyl]methanesulfonamide (PubChem CID 106084807) has the molecular formula C16H26N2O2S and a molecular weight of 310.46 g/mol. Its IUPAC name is N-(1-cyclobutylethyl)-1-[3-(ethylaminomethyl)phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-(1-cyclobutylethyl)-1-[3-(ethylaminomethyl)phenyl]methanesulfonamide
PubChem CID106084807
Molecular FormulaC16H26N2O2S
Molecular Weight310.46 g/mol
Exact Mass310.17
IUPAC NameN-(1-cyclobutylethyl)-1-[3-(ethylaminomethyl)phenyl]methanesulfonamide
SMILESCCNCc1cccc(CS(=O)(=O)NC(C)C2CCC2)c1
InChIInChI=1S/C16H26N2O2S/c1-3-17-11-14-6-4-7-15(10-14)12-21(19,20)18-13(2)16-8-5-9-16/h4,6-7,10,13,16-18H,3,5,8-9,11-12H2,1-2H3
InChIKeyDTQWVJQXCUFWFH-UHFFFAOYSA-N
XLogP2.40
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.46
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(ethylaminomethyl)phenyl]-N-(2-methyl-3-methylsulfanylpropyl)methanesulfonamide
CID 106064765
N-(1-cyclobutylethyl)-5-(ethylaminomethyl)pyridine-2-sulfonamide
CID 106084753
N-(1-cyclopentylethyl)-4-(ethylaminomethyl)thiophene-2-sulfonamide
CID 106066079
1-[3-(ethylaminomethyl)phenyl]-N-(2-methylsulfanylethyl)methanesulfonamide
CID 106063587
N-(1-cyclohexylethyl)-4-(ethylaminomethyl)thiophene-2-sulfonamide
CID 106056863
N-pentan-2-yl-1-[3-[(propan-2-ylamino)methyl]phenyl]methanesulfonamide
CID 106046672
1-[3-(ethylaminomethyl)phenyl]-N-(3-methylsulfanylpropyl)methanesulfonamide
CID 106066257
N-(1-cyclobutylethyl)-5-(ethylaminomethyl)-1H-pyrrole-3-sulfonamide
CID 106084907
1-[3-(aminomethyl)phenyl]-N-(dicyclopropylmethyl)methanesulfonamide
CID 61482657
1-[3-(methylaminomethyl)phenyl]-N-(3-methylpentan-2-yl)methanesulfonamide
CID 106053780
1-[3-(hydroxymethyl)phenyl]-N-pentan-3-ylmethanesulfonamide
CID 114132230
N-[(3-ethylphenyl)methyl]ethanamine
CID 79003665

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclobutylethyl)-1-[3-(ethylaminomethyl)phenyl]methanesulfonamide?
The IUPAC name of N-(1-cyclobutylethyl)-1-[3-(ethylaminomethyl)phenyl]methanesulfonamide (CID 106084807) is N-(1-cyclobutylethyl)-1-[3-(ethylaminomethyl)phenyl]methanesulfonamide.
What is the SMILES notation for N-(1-cyclobutylethyl)-1-[3-(ethylaminomethyl)phenyl]methanesulfonamide?
The canonical SMILES for N-(1-cyclobutylethyl)-1-[3-(ethylaminomethyl)phenyl]methanesulfonamide is CCNCc1cccc(CS(=O)(=O)NC(C)C2CCC2)c1.
What is the InChIKey of N-(1-cyclobutylethyl)-1-[3-(ethylaminomethyl)phenyl]methanesulfonamide?
The InChIKey is DTQWVJQXCUFWFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2S/c1-3-17-11-14-6-4-7-15(10-14)12-21(19,20)18-13(2)16-8-5-9-16/h4,6-7,10,13,16-18H,3,5,8-9,11-12H2,1-2H3.
What are the key properties of N-(1-cyclobutylethyl)-1-[3-(ethylaminomethyl)phenyl]methanesulfonamide?
N-(1-cyclobutylethyl)-1-[3-(ethylaminomethyl)phenyl]methanesulfonamide has a molecular weight of 310.46 g/mol, XLogP of 2.40, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclobutylethyl)-1-[3-(ethylaminomethyl)phenyl]methanesulfonamide is sourced from PubChem (CID 106084807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).