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

C15H24N2O3S — CID 82749172

IUPAC1-[4-(ethylaminomethyl)phenyl]-N-methyl-N-(oxolan-3-yl)methanesulfonamide
SMILESCCNCc1ccc(CS(=O)(=O)N(C)C2CCOC2)cc1
InChIInChI=1S/C15H24N2O3S/c1-3-16-10-13-4-6-14(7-5-13)12-21(18,19)17(2)15-8-9-20-11-15/h4-7,15-16H,3,8-12H2,1-2H3
InChIKeyPQLLPHVXTKIVHV-UHFFFAOYSA-N
MW312.44 g/mol
LogP1.35
Rot. Bonds7

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

1-[4-(ethylaminomethyl)phenyl]-N-methyl-N-(oxolan-3-yl)methanesulfonamide (PubChem CID 82749172) has the molecular formula C15H24N2O3S and a molecular weight of 312.44 g/mol. Its IUPAC name is 1-[4-(ethylaminomethyl)phenyl]-N-methyl-N-(oxolan-3-yl)methanesulfonamide.

Molecular Properties

Compound Name1-[4-(ethylaminomethyl)phenyl]-N-methyl-N-(oxolan-3-yl)methanesulfonamide
PubChem CID82749172
Molecular FormulaC15H24N2O3S
Molecular Weight312.44 g/mol
Exact Mass312.15
IUPAC Name1-[4-(ethylaminomethyl)phenyl]-N-methyl-N-(oxolan-3-yl)methanesulfonamide
SMILESCCNCc1ccc(CS(=O)(=O)N(C)C2CCOC2)cc1
InChIInChI=1S/C15H24N2O3S/c1-3-16-10-13-4-6-14(7-5-13)12-21(18,19)17(2)15-8-9-20-11-15/h4-7,15-16H,3,8-12H2,1-2H3
InChIKeyPQLLPHVXTKIVHV-UHFFFAOYSA-N
XLogP1.35
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(chloromethyl)phenyl]-N-methyl-N-(oxolan-3-yl)methanesulfonamide
CID 82745962
N-[[4-(ethylaminomethyl)phenyl]methyl]-N-methyloxan-4-amine
CID 62431673
4-(ethylaminomethyl)-N-methyl-N-(oxolan-3-yl)thiophene-2-sulfonamide
CID 82744724
N-[2-[4-(ethylaminomethyl)phenoxy]ethyl]-N-methyloxolan-3-amine
CID 82753827
1-(4-bromophenyl)-N-methyl-N-(oxan-4-yl)methanesulfonamide
CID 71271233
1-(3-aminophenyl)-N-methyl-N-(oxolan-3-yl)methanesulfonamide
CID 82741380
N-methyl-N-(oxolan-3-yl)-5-(propylaminomethyl)pyridine-2-sulfonamide
CID 82749058
N-methyl-N-(oxolan-3-yl)-4-[(propan-2-ylamino)methyl]benzenesulfonamide
CID 82729653
4-(hydroxymethyl)-N-methyl-N-(oxolan-3-yl)benzenesulfonamide
CID 82745836
N-[[4-(oxolan-3-yloxy)phenyl]methyl]ethanamine
CID 63557924
2-ethyl-N-methyl-5-(methylaminomethyl)-N-(oxolan-3-yl)benzenesulfonamide
CID 82748707
4-(ethylaminomethyl)-N-(oxan-3-yl)benzenesulfonamide
CID 63361233

Frequently Asked Questions

What is the IUPAC name of 1-[4-(ethylaminomethyl)phenyl]-N-methyl-N-(oxolan-3-yl)methanesulfonamide?
The IUPAC name of 1-[4-(ethylaminomethyl)phenyl]-N-methyl-N-(oxolan-3-yl)methanesulfonamide (CID 82749172) is 1-[4-(ethylaminomethyl)phenyl]-N-methyl-N-(oxolan-3-yl)methanesulfonamide.
What is the SMILES notation for 1-[4-(ethylaminomethyl)phenyl]-N-methyl-N-(oxolan-3-yl)methanesulfonamide?
The canonical SMILES for 1-[4-(ethylaminomethyl)phenyl]-N-methyl-N-(oxolan-3-yl)methanesulfonamide is CCNCc1ccc(CS(=O)(=O)N(C)C2CCOC2)cc1.
What is the InChIKey of 1-[4-(ethylaminomethyl)phenyl]-N-methyl-N-(oxolan-3-yl)methanesulfonamide?
The InChIKey is PQLLPHVXTKIVHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-3-16-10-13-4-6-14(7-5-13)12-21(18,19)17(2)15-8-9-20-11-15/h4-7,15-16H,3,8-12H2,1-2H3.
What are the key properties of 1-[4-(ethylaminomethyl)phenyl]-N-methyl-N-(oxolan-3-yl)methanesulfonamide?
1-[4-(ethylaminomethyl)phenyl]-N-methyl-N-(oxolan-3-yl)methanesulfonamide has a molecular weight of 312.44 g/mol, XLogP of 1.35, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(ethylaminomethyl)phenyl]-N-methyl-N-(oxolan-3-yl)methanesulfonamide is sourced from PubChem (CID 82749172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).