2-[[4-(aminomethyl)-3-methylphenyl]sulfonylamino]-N,N-dimethylacetamide

C12H19N3O3S — CID 106919128

IUPAC2-[[4-(aminomethyl)-3-methylphenyl]sulfonylamino]-N,N-dimethylacetamide
SMILESCc1cc(S(=O)(=O)NCC(=O)N(C)C)ccc1CN
InChIInChI=1S/C12H19N3O3S/c1-9-6-11(5-4-10(9)7-13)19(17,18)14-8-12(16)15(2)3/h4-6,14H,7-8,13H2,1-3H3
InChIKeySELTWCQXJUAYSU-UHFFFAOYSA-N
MW285.37 g/mol
LogP-0.18
Rot. Bonds5

About 2-[[4-(aminomethyl)-3-methylphenyl]sulfonylamino]-N,N-dimethylacetamide

2-[[4-(aminomethyl)-3-methylphenyl]sulfonylamino]-N,N-dimethylacetamide (PubChem CID 106919128) has the molecular formula C12H19N3O3S and a molecular weight of 285.37 g/mol. Its IUPAC name is 2-[[4-(aminomethyl)-3-methylphenyl]sulfonylamino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[[4-(aminomethyl)-3-methylphenyl]sulfonylamino]-N,N-dimethylacetamide
PubChem CID106919128
Molecular FormulaC12H19N3O3S
Molecular Weight285.37 g/mol
Exact Mass285.11
IUPAC Name2-[[4-(aminomethyl)-3-methylphenyl]sulfonylamino]-N,N-dimethylacetamide
SMILESCc1cc(S(=O)(=O)NCC(=O)N(C)C)ccc1CN
InChIInChI=1S/C12H19N3O3S/c1-9-6-11(5-4-10(9)7-13)19(17,18)14-8-12(16)15(2)3/h4-6,14H,7-8,13H2,1-3H3
InChIKeySELTWCQXJUAYSU-UHFFFAOYSA-N
XLogP-0.18
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 5-0.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[4-(aminomethyl)phenyl]sulfonylamino]-N,N-dimethylacetamide
CID 43310982
2-[[4-(aminomethyl)-3-methylphenyl]sulfonylamino]-N-cyclopropylacetamide
CID 106919161
3-[[4-(aminomethyl)-3-methylphenyl]sulfonylamino]-2,2-dimethylpropanamide
CID 106275956
2-[[4-(aminomethyl)-3-methylphenyl]sulfonyl-ethylamino]-N,N-dimethylacetamide
CID 106919187
4-(aminomethyl)-N-(2-methoxyethyl)-3-methylbenzenesulfonamide
CID 106919075
5-[[2-(dimethylamino)-2-oxoethyl]sulfamoyl]-2-hydroxybenzoic acid
CID 43214507
4-(aminomethyl)-N-(3-ethoxypropyl)-3-methylbenzenesulfonamide
CID 106919050
2-chloro-4-[[2-(dimethylamino)-2-oxoethyl]sulfamoyl]benzoic acid
CID 107089911
4-(aminomethyl)-N-(cyclohexylmethyl)-3-methylbenzenesulfonamide
CID 106919131
4-(aminomethyl)-N-ethyl-N,3-dimethylbenzenesulfonamide
CID 106919113
(4-ethylsulfonyl-2-methylphenyl)methanamine
CID 112594406
N,N-dimethyl-2-[(6-oxo-1H-pyridin-3-yl)sulfonylamino]acetamide
CID 43629293

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(aminomethyl)-3-methylphenyl]sulfonylamino]-N,N-dimethylacetamide?
The IUPAC name of 2-[[4-(aminomethyl)-3-methylphenyl]sulfonylamino]-N,N-dimethylacetamide (CID 106919128) is 2-[[4-(aminomethyl)-3-methylphenyl]sulfonylamino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[[4-(aminomethyl)-3-methylphenyl]sulfonylamino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[[4-(aminomethyl)-3-methylphenyl]sulfonylamino]-N,N-dimethylacetamide is Cc1cc(S(=O)(=O)NCC(=O)N(C)C)ccc1CN.
What is the InChIKey of 2-[[4-(aminomethyl)-3-methylphenyl]sulfonylamino]-N,N-dimethylacetamide?
The InChIKey is SELTWCQXJUAYSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3S/c1-9-6-11(5-4-10(9)7-13)19(17,18)14-8-12(16)15(2)3/h4-6,14H,7-8,13H2,1-3H3.
What are the key properties of 2-[[4-(aminomethyl)-3-methylphenyl]sulfonylamino]-N,N-dimethylacetamide?
2-[[4-(aminomethyl)-3-methylphenyl]sulfonylamino]-N,N-dimethylacetamide has a molecular weight of 285.37 g/mol, XLogP of -0.18, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(aminomethyl)-3-methylphenyl]sulfonylamino]-N,N-dimethylacetamide is sourced from PubChem (CID 106919128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).