2,2-dimethyl-N-[3-[(propan-2-ylamino)methyl]phenyl]propane-1-sulfonamide

C15H26N2O2S — CID 106911370

IUPAC2,2-dimethyl-N-[3-[(propan-2-ylamino)methyl]phenyl]propane-1-sulfonamide
SMILESCC(C)NCc1cccc(NS(=O)(=O)CC(C)(C)C)c1
InChIInChI=1S/C15H26N2O2S/c1-12(2)16-10-13-7-6-8-14(9-13)17-20(18,19)11-15(3,4)5/h6-9,12,16-17H,10-11H2,1-5H3
InChIKeyRHEYVZURPSJRPA-UHFFFAOYSA-N
MW298.45 g/mol
LogP2.97
Rot. Bonds6

About 2,2-dimethyl-N-[3-[(propan-2-ylamino)methyl]phenyl]propane-1-sulfonamide

2,2-dimethyl-N-[3-[(propan-2-ylamino)methyl]phenyl]propane-1-sulfonamide (PubChem CID 106911370) has the molecular formula C15H26N2O2S and a molecular weight of 298.45 g/mol. Its IUPAC name is 2,2-dimethyl-N-[3-[(propan-2-ylamino)methyl]phenyl]propane-1-sulfonamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[3-[(propan-2-ylamino)methyl]phenyl]propane-1-sulfonamide
PubChem CID106911370
Molecular FormulaC15H26N2O2S
Molecular Weight298.45 g/mol
Exact Mass298.17
IUPAC Name2,2-dimethyl-N-[3-[(propan-2-ylamino)methyl]phenyl]propane-1-sulfonamide
SMILESCC(C)NCc1cccc(NS(=O)(=O)CC(C)(C)C)c1
InChIInChI=1S/C15H26N2O2S/c1-12(2)16-10-13-7-6-8-14(9-13)17-20(18,19)11-15(3,4)5/h6-9,12,16-17H,10-11H2,1-5H3
InChIKeyRHEYVZURPSJRPA-UHFFFAOYSA-N
XLogP2.97
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.45
LogP ≤ 52.97
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
2,2-dimethyl-N-[4-[(propan-2-ylamino)methyl]phenyl]propane-1-sulfonamide
CID 106911188
1-(oxolan-2-yl)-N-[3-[(propan-2-ylamino)methyl]phenyl]methanesulfonamide
CID 106911397
N-(2-methoxyethylsulfamoyl)-3-[(propan-2-ylamino)methyl]aniline
CID 106911371
3,3-dimethyl-N-[3-(methylaminomethyl)phenyl]butane-1-sulfonamide
CID 103521428
N-[[3-(1,1-difluoroethyl)phenyl]methyl]propan-2-amine
CID 116992438
3-(aminomethyl)-N-(propan-2-ylsulfamoyl)aniline
CID 114803317
N-[3-[(cyclopropylamino)methyl]phenyl]-2-methylpropane-1-sulfonamide
CID 106911358
N-(3-fluorophenyl)-4-[(propan-2-ylamino)methyl]thiophene-2-sulfonamide
CID 106060564
N-(2-methyl-2-methylsulfanylpropyl)-3-[(propan-2-ylamino)methyl]benzenesulfonamide
CID 106080889
N-pentan-2-yl-1-[3-[(propan-2-ylamino)methyl]phenyl]methanesulfonamide
CID 106046672
N',N'-dimethyl-3-[(propan-2-ylamino)methyl]benzenesulfonohydrazide
CID 114141820

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[3-[(propan-2-ylamino)methyl]phenyl]propane-1-sulfonamide?
The IUPAC name of 2,2-dimethyl-N-[3-[(propan-2-ylamino)methyl]phenyl]propane-1-sulfonamide (CID 106911370) is 2,2-dimethyl-N-[3-[(propan-2-ylamino)methyl]phenyl]propane-1-sulfonamide.
What is the SMILES notation for 2,2-dimethyl-N-[3-[(propan-2-ylamino)methyl]phenyl]propane-1-sulfonamide?
The canonical SMILES for 2,2-dimethyl-N-[3-[(propan-2-ylamino)methyl]phenyl]propane-1-sulfonamide is CC(C)NCc1cccc(NS(=O)(=O)CC(C)(C)C)c1.
What is the InChIKey of 2,2-dimethyl-N-[3-[(propan-2-ylamino)methyl]phenyl]propane-1-sulfonamide?
The InChIKey is RHEYVZURPSJRPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2S/c1-12(2)16-10-13-7-6-8-14(9-13)17-20(18,19)11-15(3,4)5/h6-9,12,16-17H,10-11H2,1-5H3.
What are the key properties of 2,2-dimethyl-N-[3-[(propan-2-ylamino)methyl]phenyl]propane-1-sulfonamide?
2,2-dimethyl-N-[3-[(propan-2-ylamino)methyl]phenyl]propane-1-sulfonamide has a molecular weight of 298.45 g/mol, XLogP of 2.97, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[3-[(propan-2-ylamino)methyl]phenyl]propane-1-sulfonamide is sourced from PubChem (CID 106911370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).