N-[2-methyl-1-[(4-propan-2-ylphenyl)methylamino]propan-2-yl]methanesulfonamide

C15H26N2O2S — CID 63858902

IUPACN-[2-methyl-1-[(4-propan-2-ylphenyl)methylamino]propan-2-yl]methanesulfonamide
SMILESCC(C)c1ccc(CNCC(C)(C)NS(C)(=O)=O)cc1
InChIInChI=1S/C15H26N2O2S/c1-12(2)14-8-6-13(7-9-14)10-16-11-15(3,4)17-20(5,18)19/h6-9,12,16-17H,10-11H2,1-5H3
InChIKeyLPIGJJCQGMEBEE-UHFFFAOYSA-N
MW298.45 g/mol
LogP2.23
Rot. Bonds7

About N-[2-methyl-1-[(4-propan-2-ylphenyl)methylamino]propan-2-yl]methanesulfonamide

N-[2-methyl-1-[(4-propan-2-ylphenyl)methylamino]propan-2-yl]methanesulfonamide (PubChem CID 63858902) has the molecular formula C15H26N2O2S and a molecular weight of 298.45 g/mol. Its IUPAC name is N-[2-methyl-1-[(4-propan-2-ylphenyl)methylamino]propan-2-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-methyl-1-[(4-propan-2-ylphenyl)methylamino]propan-2-yl]methanesulfonamide
PubChem CID63858902
Molecular FormulaC15H26N2O2S
Molecular Weight298.45 g/mol
Exact Mass298.17
IUPAC NameN-[2-methyl-1-[(4-propan-2-ylphenyl)methylamino]propan-2-yl]methanesulfonamide
SMILESCC(C)c1ccc(CNCC(C)(C)NS(C)(=O)=O)cc1
InChIInChI=1S/C15H26N2O2S/c1-12(2)14-8-6-13(7-9-14)10-16-11-15(3,4)17-20(5,18)19/h6-9,12,16-17H,10-11H2,1-5H3
InChIKeyLPIGJJCQGMEBEE-UHFFFAOYSA-N
XLogP2.23
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.45
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[(4-cyclopropylphenyl)methylamino]-2-methylpropan-2-yl]methanesulfonamide
CID 79984461
N-[1-[2-(4-fluorophenyl)propylamino]-2-methylpropan-2-yl]methanesulfonamide
CID 84596648
2-methyl-N-[(4-propan-2-ylphenyl)methyl]propan-1-amine
CID 4725253
2,4-dimethyl-1-[(4-propan-2-ylphenyl)methylamino]pentan-2-ol
CID 66178707
N-[2-methyl-1-[1-(4-methylphenyl)ethylamino]propan-2-yl]methanesulfonamide
CID 63859656
N-[1-[(3-cyclopropylphenyl)methylamino]-2-methylpropan-2-yl]methanesulfonamide
CID 79984386
N-[1-[(1-tert-butylpyrazol-4-yl)methylamino]-2-methylpropan-2-yl]methanesulfonamide
CID 63858908
2-ethyl-2-[[(4-propan-2-ylphenyl)methylamino]methyl]butanoic acid
CID 122129128
4,4-dimethyl-5-[(4-propan-2-ylphenyl)methylamino]pentan-1-ol
CID 103897565
N-[1-[(5-bromothiophen-2-yl)methylamino]-2-methylpropan-2-yl]methanesulfonamide
CID 63859642
N-methyl-N'-[(4-propan-2-ylphenyl)methyl]methanediamine
CID 115226785
N-[(4-propan-2-ylphenyl)methyl]ethanamine;hydrochloride
CID 17331855

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-1-[(4-propan-2-ylphenyl)methylamino]propan-2-yl]methanesulfonamide?
The IUPAC name of N-[2-methyl-1-[(4-propan-2-ylphenyl)methylamino]propan-2-yl]methanesulfonamide (CID 63858902) is N-[2-methyl-1-[(4-propan-2-ylphenyl)methylamino]propan-2-yl]methanesulfonamide.
What is the SMILES notation for N-[2-methyl-1-[(4-propan-2-ylphenyl)methylamino]propan-2-yl]methanesulfonamide?
The canonical SMILES for N-[2-methyl-1-[(4-propan-2-ylphenyl)methylamino]propan-2-yl]methanesulfonamide is CC(C)c1ccc(CNCC(C)(C)NS(C)(=O)=O)cc1.
What is the InChIKey of N-[2-methyl-1-[(4-propan-2-ylphenyl)methylamino]propan-2-yl]methanesulfonamide?
The InChIKey is LPIGJJCQGMEBEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2S/c1-12(2)14-8-6-13(7-9-14)10-16-11-15(3,4)17-20(5,18)19/h6-9,12,16-17H,10-11H2,1-5H3.
What are the key properties of N-[2-methyl-1-[(4-propan-2-ylphenyl)methylamino]propan-2-yl]methanesulfonamide?
N-[2-methyl-1-[(4-propan-2-ylphenyl)methylamino]propan-2-yl]methanesulfonamide has a molecular weight of 298.45 g/mol, XLogP of 2.23, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-1-[(4-propan-2-ylphenyl)methylamino]propan-2-yl]methanesulfonamide is sourced from PubChem (CID 63858902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).