2,2-dimethyl-3-[[4-(methylamino)phenyl]sulfonylamino]propanamide

C12H19N3O3S — CID 106279964

IUPAC2,2-dimethyl-3-[[4-(methylamino)phenyl]sulfonylamino]propanamide
SMILESCNc1ccc(S(=O)(=O)NCC(C)(C)C(N)=O)cc1
InChIInChI=1S/C12H19N3O3S/c1-12(2,11(13)16)8-15-19(17,18)10-6-4-9(14-3)5-7-10/h4-7,14-15H,8H2,1-3H3,(H2,13,16)
InChIKeyYNKFRGTTZAUQHV-UHFFFAOYSA-N
MW285.37 g/mol
LogP0.52
Rot. Bonds6

About 2,2-dimethyl-3-[[4-(methylamino)phenyl]sulfonylamino]propanamide

2,2-dimethyl-3-[[4-(methylamino)phenyl]sulfonylamino]propanamide (PubChem CID 106279964) has the molecular formula C12H19N3O3S and a molecular weight of 285.37 g/mol. Its IUPAC name is 2,2-dimethyl-3-[[4-(methylamino)phenyl]sulfonylamino]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-3-[[4-(methylamino)phenyl]sulfonylamino]propanamide
PubChem CID106279964
Molecular FormulaC12H19N3O3S
Molecular Weight285.37 g/mol
Exact Mass285.11
IUPAC Name2,2-dimethyl-3-[[4-(methylamino)phenyl]sulfonylamino]propanamide
SMILESCNc1ccc(S(=O)(=O)NCC(C)(C)C(N)=O)cc1
InChIInChI=1S/C12H19N3O3S/c1-12(2,11(13)16)8-15-19(17,18)10-6-4-9(14-3)5-7-10/h4-7,14-15H,8H2,1-3H3,(H2,13,16)
InChIKeyYNKFRGTTZAUQHV-UHFFFAOYSA-N
XLogP0.52
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 50.52
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
3-[[4-(aminomethyl)-3-methylphenyl]sulfonylamino]-2,2-dimethylpropanamide
CID 106275956
2,2-dimethyl-3-[[3-[1-(methylamino)ethyl]phenyl]sulfonylamino]propanamide
CID 106278277
2-[[4-(methylamino)phenyl]sulfonylamino]ethyl carbamate
CID 83203795
2-[2-[[4-(methylamino)phenyl]sulfonylamino]ethoxy]acetamide
CID 106240991
N-(2,2-dimethylpropyl)-4-hydrazinylbenzenesulfonamide
CID 61168465
3-[[4-(bromomethyl)phenyl]sulfonylamino]-N,2,2-trimethylpropanamide
CID 106279745
3-[(3-amino-2,2-dimethyl-3-oxopropyl)sulfamoyl]-4-methylbenzoic acid
CID 106275642
N-methyl-4-(methylamino)benzenesulfonamide
CID 15049669
4-(methylamino)-N-(3-methylpentan-3-yl)benzenesulfonamide
CID 106330291
4-amino-N-(2,2-difluoropropyl)benzenesulfonamide
CID 71579055

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-[[4-(methylamino)phenyl]sulfonylamino]propanamide?
The IUPAC name of 2,2-dimethyl-3-[[4-(methylamino)phenyl]sulfonylamino]propanamide (CID 106279964) is 2,2-dimethyl-3-[[4-(methylamino)phenyl]sulfonylamino]propanamide.
What is the SMILES notation for 2,2-dimethyl-3-[[4-(methylamino)phenyl]sulfonylamino]propanamide?
The canonical SMILES for 2,2-dimethyl-3-[[4-(methylamino)phenyl]sulfonylamino]propanamide is CNc1ccc(S(=O)(=O)NCC(C)(C)C(N)=O)cc1.
What is the InChIKey of 2,2-dimethyl-3-[[4-(methylamino)phenyl]sulfonylamino]propanamide?
The InChIKey is YNKFRGTTZAUQHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3S/c1-12(2,11(13)16)8-15-19(17,18)10-6-4-9(14-3)5-7-10/h4-7,14-15H,8H2,1-3H3,(H2,13,16).
What are the key properties of 2,2-dimethyl-3-[[4-(methylamino)phenyl]sulfonylamino]propanamide?
2,2-dimethyl-3-[[4-(methylamino)phenyl]sulfonylamino]propanamide has a molecular weight of 285.37 g/mol, XLogP of 0.52, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-[[4-(methylamino)phenyl]sulfonylamino]propanamide is sourced from PubChem (CID 106279964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).