2,2-dimethyl-3-[[3-[1-(methylamino)ethyl]phenyl]sulfonylamino]propanamide

C14H23N3O3S — CID 106278277

IUPAC2,2-dimethyl-3-[[3-[1-(methylamino)ethyl]phenyl]sulfonylamino]propanamide
SMILESCNC(C)c1cccc(S(=O)(=O)NCC(C)(C)C(N)=O)c1
InChIInChI=1S/C14H23N3O3S/c1-10(16-4)11-6-5-7-12(8-11)21(19,20)17-9-14(2,3)13(15)18/h5-8,10,16-17H,9H2,1-4H3,(H2,15,18)
InChIKeyZFVUXLMETABJSJ-UHFFFAOYSA-N
MW313.42 g/mol
LogP0.76
Rot. Bonds7

About 2,2-dimethyl-3-[[3-[1-(methylamino)ethyl]phenyl]sulfonylamino]propanamide

2,2-dimethyl-3-[[3-[1-(methylamino)ethyl]phenyl]sulfonylamino]propanamide (PubChem CID 106278277) has the molecular formula C14H23N3O3S and a molecular weight of 313.42 g/mol. Its IUPAC name is 2,2-dimethyl-3-[[3-[1-(methylamino)ethyl]phenyl]sulfonylamino]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-3-[[3-[1-(methylamino)ethyl]phenyl]sulfonylamino]propanamide
PubChem CID106278277
Molecular FormulaC14H23N3O3S
Molecular Weight313.42 g/mol
Exact Mass313.15
IUPAC Name2,2-dimethyl-3-[[3-[1-(methylamino)ethyl]phenyl]sulfonylamino]propanamide
SMILESCNC(C)c1cccc(S(=O)(=O)NCC(C)(C)C(N)=O)c1
InChIInChI=1S/C14H23N3O3S/c1-10(16-4)11-6-5-7-12(8-11)21(19,20)17-9-14(2,3)13(15)18/h5-8,10,16-17H,9H2,1-4H3,(H2,15,18)
InChIKeyZFVUXLMETABJSJ-UHFFFAOYSA-N
XLogP0.76
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 50.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[1-(methylamino)ethyl]-N-(2,3,3-trimethylbutyl)benzenesulfonamide
CID 83142320
2,2-dimethyl-3-[[4-(methylamino)phenyl]sulfonylamino]propanamide
CID 106279964
N-(2,2-dimethylpropyl)-3-[1-(ethylamino)ethyl]benzenesulfonamide
CID 61167664
N-(cyclopropylmethyl)-3-[1-(methylamino)ethyl]benzenesulfonamide
CID 43506800
3-[(4-amino-3-methylphenyl)sulfonylamino]-2,2-dimethylpropanamide
CID 106274847
3-[1-(methylamino)ethyl]-N-(3-methylsulfanylpropyl)benzenesulfonamide
CID 63957668
3-[1-(methylamino)ethyl]-N-pentan-3-ylbenzenesulfonamide
CID 43506746
3-[(3-amino-4-chlorophenyl)sulfonylamino]-2,2-dimethylpropanamide
CID 106274921
N-methyl-1-(3-methylsulfonylphenyl)ethanamine
CID 112704192
(1R)-N-methyl-1-(3-methylsulfonylphenyl)ethanamine
CID 130699454
3-[[4-(aminomethyl)-3-methylphenyl]sulfonylamino]-2,2-dimethylpropanamide
CID 106275956
N-[2-(methylamino)propyl]-3-propan-2-ylbenzenesulfonamide
CID 120824992

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-[[3-[1-(methylamino)ethyl]phenyl]sulfonylamino]propanamide?
The IUPAC name of 2,2-dimethyl-3-[[3-[1-(methylamino)ethyl]phenyl]sulfonylamino]propanamide (CID 106278277) is 2,2-dimethyl-3-[[3-[1-(methylamino)ethyl]phenyl]sulfonylamino]propanamide.
What is the SMILES notation for 2,2-dimethyl-3-[[3-[1-(methylamino)ethyl]phenyl]sulfonylamino]propanamide?
The canonical SMILES for 2,2-dimethyl-3-[[3-[1-(methylamino)ethyl]phenyl]sulfonylamino]propanamide is CNC(C)c1cccc(S(=O)(=O)NCC(C)(C)C(N)=O)c1.
What is the InChIKey of 2,2-dimethyl-3-[[3-[1-(methylamino)ethyl]phenyl]sulfonylamino]propanamide?
The InChIKey is ZFVUXLMETABJSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3S/c1-10(16-4)11-6-5-7-12(8-11)21(19,20)17-9-14(2,3)13(15)18/h5-8,10,16-17H,9H2,1-4H3,(H2,15,18).
What are the key properties of 2,2-dimethyl-3-[[3-[1-(methylamino)ethyl]phenyl]sulfonylamino]propanamide?
2,2-dimethyl-3-[[3-[1-(methylamino)ethyl]phenyl]sulfonylamino]propanamide has a molecular weight of 313.42 g/mol, XLogP of 0.76, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-[[3-[1-(methylamino)ethyl]phenyl]sulfonylamino]propanamide is sourced from PubChem (CID 106278277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).