2-[[2-(aminomethyl)phenyl]sulfonyl-methylamino]-N,N-diethylacetamide

C14H23N3O3S — CID 61452012

IUPAC2-[[2-(aminomethyl)phenyl]sulfonyl-methylamino]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CN(C)S(=O)(=O)c1ccccc1CN
InChIInChI=1S/C14H23N3O3S/c1-4-17(5-2)14(18)11-16(3)21(19,20)13-9-7-6-8-12(13)10-15/h6-9H,4-5,10-11,15H2,1-3H3
InChIKeyVYVCXCVKEMWWLB-UHFFFAOYSA-N
MW313.42 g/mol
LogP0.63
Rot. Bonds7

About 2-[[2-(aminomethyl)phenyl]sulfonyl-methylamino]-N,N-diethylacetamide

2-[[2-(aminomethyl)phenyl]sulfonyl-methylamino]-N,N-diethylacetamide (PubChem CID 61452012) has the molecular formula C14H23N3O3S and a molecular weight of 313.42 g/mol. Its IUPAC name is 2-[[2-(aminomethyl)phenyl]sulfonyl-methylamino]-N,N-diethylacetamide.

Molecular Properties

Compound Name2-[[2-(aminomethyl)phenyl]sulfonyl-methylamino]-N,N-diethylacetamide
PubChem CID61452012
Molecular FormulaC14H23N3O3S
Molecular Weight313.42 g/mol
Exact Mass313.15
IUPAC Name2-[[2-(aminomethyl)phenyl]sulfonyl-methylamino]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CN(C)S(=O)(=O)c1ccccc1CN
InChIInChI=1S/C14H23N3O3S/c1-4-17(5-2)14(18)11-16(3)21(19,20)13-9-7-6-8-12(13)10-15/h6-9H,4-5,10-11,15H2,1-3H3
InChIKeyVYVCXCVKEMWWLB-UHFFFAOYSA-N
XLogP0.63
TPSA83.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-chlorophenyl)sulfonyl-methylamino]-N,N-diethylacetamide
CID 78793216
2-(aminomethyl)-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide
CID 61442551
2-(aminomethyl)-N,N-diethylbenzenesulfonamide
CID 16783834
2-[[2-(aminomethyl)phenyl]methyl-methylamino]-N,N-diethylacetamide
CID 54939161
2-[2-(aminomethyl)phenyl]-N-[2-(diethylamino)-2-oxoethyl]-N-methylacetamide
CID 81312909
2-[(2-aminophenyl)methylsulfonyl-methylamino]-N,N-diethylacetamide
CID 62020164
2-(aminomethyl)-N-benzyl-N-methylbenzenesulfonamide;hydrochloride
CID 69275017
2-[(3-amino-1-methylpyrazol-4-yl)sulfonyl-methylamino]-N,N-diethylacetamide
CID 61116268
2-(aminomethyl)-N-methyl-N-[(4-methylphenyl)methyl]benzenesulfonamide
CID 28544654
2-(aminomethyl)-N-[1-(dimethylamino)propan-2-yl]-N-ethylbenzenesulfonamide
CID 103188525
2-[benzenesulfonyl(methyl)amino]-N-ethyl-N-(2-methylprop-2-enyl)acetamide
CID 78767125
2-(aminomethyl)-N-ethyl-N-(2-methylbutyl)benzenesulfonamide
CID 79482199

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(aminomethyl)phenyl]sulfonyl-methylamino]-N,N-diethylacetamide?
The IUPAC name of 2-[[2-(aminomethyl)phenyl]sulfonyl-methylamino]-N,N-diethylacetamide (CID 61452012) is 2-[[2-(aminomethyl)phenyl]sulfonyl-methylamino]-N,N-diethylacetamide.
What is the SMILES notation for 2-[[2-(aminomethyl)phenyl]sulfonyl-methylamino]-N,N-diethylacetamide?
The canonical SMILES for 2-[[2-(aminomethyl)phenyl]sulfonyl-methylamino]-N,N-diethylacetamide is CCN(CC)C(=O)CN(C)S(=O)(=O)c1ccccc1CN.
What is the InChIKey of 2-[[2-(aminomethyl)phenyl]sulfonyl-methylamino]-N,N-diethylacetamide?
The InChIKey is VYVCXCVKEMWWLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3S/c1-4-17(5-2)14(18)11-16(3)21(19,20)13-9-7-6-8-12(13)10-15/h6-9H,4-5,10-11,15H2,1-3H3.
What are the key properties of 2-[[2-(aminomethyl)phenyl]sulfonyl-methylamino]-N,N-diethylacetamide?
2-[[2-(aminomethyl)phenyl]sulfonyl-methylamino]-N,N-diethylacetamide has a molecular weight of 313.42 g/mol, XLogP of 0.63, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(aminomethyl)phenyl]sulfonyl-methylamino]-N,N-diethylacetamide is sourced from PubChem (CID 61452012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).