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

C13H21N3O3S — CID 106275956

IUPAC3-[[4-(aminomethyl)-3-methylphenyl]sulfonylamino]-2,2-dimethylpropanamide
SMILESCc1cc(S(=O)(=O)NCC(C)(C)C(N)=O)ccc1CN
InChIInChI=1S/C13H21N3O3S/c1-9-6-11(5-4-10(9)7-14)20(18,19)16-8-13(2,3)12(15)17/h4-6,16H,7-8,14H2,1-3H3,(H2,15,17)
InChIKeyUIEFFXNDTXNHIU-UHFFFAOYSA-N
MW299.40 g/mol
LogP0.24
Rot. Bonds6

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

3-[[4-(aminomethyl)-3-methylphenyl]sulfonylamino]-2,2-dimethylpropanamide (PubChem CID 106275956) has the molecular formula C13H21N3O3S and a molecular weight of 299.40 g/mol. Its IUPAC name is 3-[[4-(aminomethyl)-3-methylphenyl]sulfonylamino]-2,2-dimethylpropanamide.

Molecular Properties

Compound Name3-[[4-(aminomethyl)-3-methylphenyl]sulfonylamino]-2,2-dimethylpropanamide
PubChem CID106275956
Molecular FormulaC13H21N3O3S
Molecular Weight299.40 g/mol
Exact Mass299.13
IUPAC Name3-[[4-(aminomethyl)-3-methylphenyl]sulfonylamino]-2,2-dimethylpropanamide
SMILESCc1cc(S(=O)(=O)NCC(C)(C)C(N)=O)ccc1CN
InChIInChI=1S/C13H21N3O3S/c1-9-6-11(5-4-10(9)7-14)20(18,19)16-8-13(2,3)12(15)17/h4-6,16H,7-8,14H2,1-3H3,(H2,15,17)
InChIKeyUIEFFXNDTXNHIU-UHFFFAOYSA-N
XLogP0.24
TPSA115.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 50.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(4-amino-3-methylphenyl)sulfonylamino]-2,2-dimethylpropanamide
CID 106274847
3-[(3-amino-4-chlorophenyl)sulfonylamino]-2,2-dimethylpropanamide
CID 106274921
2-[[4-(aminomethyl)-3-methylphenyl]sulfonylamino]-N,N-dimethylacetamide
CID 106919128
2,2-dimethyl-3-[[4-(methylamino)phenyl]sulfonylamino]propanamide
CID 106279964
2-[[4-(aminomethyl)-3-methylphenyl]sulfonylamino]-N-cyclopropylacetamide
CID 106919161
4-(aminomethyl)-N-(2-methoxyethyl)-3-methylbenzenesulfonamide
CID 106919075
3-[(3-amino-2,2-dimethyl-3-oxopropyl)sulfamoyl]-4-methylbenzoic acid
CID 106275642
3-[(3-amino-4-methylphenyl)sulfonylamino]-N,2,2-trimethylpropanamide
CID 106275000
4-(aminomethyl)-N-(cyclohexylmethyl)-3-methylbenzenesulfonamide
CID 106919131
2,2-dimethyl-3-[[3-[1-(methylamino)ethyl]phenyl]sulfonylamino]propanamide
CID 106278277
N-(3-amino-2,2-difluoropropyl)-3,4-dimethylbenzenesulfonamide
CID 114383921
4-(aminomethyl)-N-(3-ethylpentan-2-yl)-3-methylbenzenesulfonamide
CID 106919419

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(aminomethyl)-3-methylphenyl]sulfonylamino]-2,2-dimethylpropanamide?
The IUPAC name of 3-[[4-(aminomethyl)-3-methylphenyl]sulfonylamino]-2,2-dimethylpropanamide (CID 106275956) is 3-[[4-(aminomethyl)-3-methylphenyl]sulfonylamino]-2,2-dimethylpropanamide.
What is the SMILES notation for 3-[[4-(aminomethyl)-3-methylphenyl]sulfonylamino]-2,2-dimethylpropanamide?
The canonical SMILES for 3-[[4-(aminomethyl)-3-methylphenyl]sulfonylamino]-2,2-dimethylpropanamide is Cc1cc(S(=O)(=O)NCC(C)(C)C(N)=O)ccc1CN.
What is the InChIKey of 3-[[4-(aminomethyl)-3-methylphenyl]sulfonylamino]-2,2-dimethylpropanamide?
The InChIKey is UIEFFXNDTXNHIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3S/c1-9-6-11(5-4-10(9)7-14)20(18,19)16-8-13(2,3)12(15)17/h4-6,16H,7-8,14H2,1-3H3,(H2,15,17).
What are the key properties of 3-[[4-(aminomethyl)-3-methylphenyl]sulfonylamino]-2,2-dimethylpropanamide?
3-[[4-(aminomethyl)-3-methylphenyl]sulfonylamino]-2,2-dimethylpropanamide has a molecular weight of 299.40 g/mol, XLogP of 0.24, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(aminomethyl)-3-methylphenyl]sulfonylamino]-2,2-dimethylpropanamide is sourced from PubChem (CID 106275956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).