3,3-dimethyl-N-[3-(methylaminomethyl)phenyl]butane-1-sulfonamide

C14H24N2O2S — CID 103521428

IUPAC3,3-dimethyl-N-[3-(methylaminomethyl)phenyl]butane-1-sulfonamide
SMILESCNCc1cccc(NS(=O)(=O)CCC(C)(C)C)c1
InChIInChI=1S/C14H24N2O2S/c1-14(2,3)8-9-19(17,18)16-13-7-5-6-12(10-13)11-15-4/h5-7,10,15-16H,8-9,11H2,1-4H3
InChIKeyHJRRNJRZKFNHLV-UHFFFAOYSA-N
MW284.43 g/mol
LogP2.58
Rot. Bonds6

About 3,3-dimethyl-N-[3-(methylaminomethyl)phenyl]butane-1-sulfonamide

3,3-dimethyl-N-[3-(methylaminomethyl)phenyl]butane-1-sulfonamide (PubChem CID 103521428) has the molecular formula C14H24N2O2S and a molecular weight of 284.43 g/mol. Its IUPAC name is 3,3-dimethyl-N-[3-(methylaminomethyl)phenyl]butane-1-sulfonamide.

Molecular Properties

Compound Name3,3-dimethyl-N-[3-(methylaminomethyl)phenyl]butane-1-sulfonamide
PubChem CID103521428
Molecular FormulaC14H24N2O2S
Molecular Weight284.43 g/mol
Exact Mass284.16
IUPAC Name3,3-dimethyl-N-[3-(methylaminomethyl)phenyl]butane-1-sulfonamide
SMILESCNCc1cccc(NS(=O)(=O)CCC(C)(C)C)c1
InChIInChI=1S/C14H24N2O2S/c1-14(2,3)8-9-19(17,18)16-13-7-5-6-12(10-13)11-15-4/h5-7,10,15-16H,8-9,11H2,1-4H3
InChIKeyHJRRNJRZKFNHLV-UHFFFAOYSA-N
XLogP2.58
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.43
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3,3-dimethyl-N-[3-[(propan-2-ylamino)methyl]phenyl]butane-1-sulfonamide
CID 106911409
3-(3,3-dimethylbutylsulfonylamino)benzenesulfonamide
CID 103727879
methyl 2-[[3-(methylaminomethyl)phenyl]sulfamoyl]acetate
CID 55124931
2,2-dimethyl-N-[3-[(propan-2-ylamino)methyl]phenyl]propane-1-sulfonamide
CID 106911370
2-methoxy-N-[3-(methylaminomethyl)phenyl]benzenesulfonamide
CID 43606229
N-[4-(chloromethyl)phenyl]-3,3-dimethylbutane-1-sulfonamide
CID 103521723
N-[3-(methylaminomethyl)phenyl]piperidine-1-sulfonamide
CID 43606208
N-(4-cyanophenyl)-3,3-dimethylbutane-1-sulfonamide
CID 103727884
N-(6-bromonaphthalen-2-yl)-3,3-dimethylbutane-1-sulfonamide
CID 103521261
N-[3-(methoxymethyl)phenyl]-4-(methylamino)butane-1-sulfonamide
CID 106002772
N-(3-iodophenyl)-1-[4-(methylaminomethyl)phenyl]methanesulfonamide
CID 106029547
N-(4-formylphenyl)-3,3-dimethylbutane-1-sulfonamide
CID 106912861

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-N-[3-(methylaminomethyl)phenyl]butane-1-sulfonamide?
The IUPAC name of 3,3-dimethyl-N-[3-(methylaminomethyl)phenyl]butane-1-sulfonamide (CID 103521428) is 3,3-dimethyl-N-[3-(methylaminomethyl)phenyl]butane-1-sulfonamide.
What is the SMILES notation for 3,3-dimethyl-N-[3-(methylaminomethyl)phenyl]butane-1-sulfonamide?
The canonical SMILES for 3,3-dimethyl-N-[3-(methylaminomethyl)phenyl]butane-1-sulfonamide is CNCc1cccc(NS(=O)(=O)CCC(C)(C)C)c1.
What is the InChIKey of 3,3-dimethyl-N-[3-(methylaminomethyl)phenyl]butane-1-sulfonamide?
The InChIKey is HJRRNJRZKFNHLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2S/c1-14(2,3)8-9-19(17,18)16-13-7-5-6-12(10-13)11-15-4/h5-7,10,15-16H,8-9,11H2,1-4H3.
What are the key properties of 3,3-dimethyl-N-[3-(methylaminomethyl)phenyl]butane-1-sulfonamide?
3,3-dimethyl-N-[3-(methylaminomethyl)phenyl]butane-1-sulfonamide has a molecular weight of 284.43 g/mol, XLogP of 2.58, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-N-[3-(methylaminomethyl)phenyl]butane-1-sulfonamide is sourced from PubChem (CID 103521428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).