N-[1-[(3-cyclopropylphenyl)methylamino]-2-methylpropan-2-yl]methanesulfonamide

C15H24N2O2S — CID 79984386

IUPACN-[1-[(3-cyclopropylphenyl)methylamino]-2-methylpropan-2-yl]methanesulfonamide
SMILESCC(C)(CNCc1cccc(C2CC2)c1)NS(C)(=O)=O
InChIInChI=1S/C15H24N2O2S/c1-15(2,17-20(3,18)19)11-16-10-12-5-4-6-14(9-12)13-7-8-13/h4-6,9,13,16-17H,7-8,10-11H2,1-3H3
InChIKeyYMLBIYXCJRLFQG-UHFFFAOYSA-N
MW296.44 g/mol
LogP1.98
Rot. Bonds7

About N-[1-[(3-cyclopropylphenyl)methylamino]-2-methylpropan-2-yl]methanesulfonamide

N-[1-[(3-cyclopropylphenyl)methylamino]-2-methylpropan-2-yl]methanesulfonamide (PubChem CID 79984386) has the molecular formula C15H24N2O2S and a molecular weight of 296.44 g/mol. Its IUPAC name is N-[1-[(3-cyclopropylphenyl)methylamino]-2-methylpropan-2-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-[(3-cyclopropylphenyl)methylamino]-2-methylpropan-2-yl]methanesulfonamide
PubChem CID79984386
Molecular FormulaC15H24N2O2S
Molecular Weight296.44 g/mol
Exact Mass296.16
IUPAC NameN-[1-[(3-cyclopropylphenyl)methylamino]-2-methylpropan-2-yl]methanesulfonamide
SMILESCC(C)(CNCc1cccc(C2CC2)c1)NS(C)(=O)=O
InChIInChI=1S/C15H24N2O2S/c1-15(2,17-20(3,18)19)11-16-10-12-5-4-6-14(9-12)13-7-8-13/h4-6,9,13,16-17H,7-8,10-11H2,1-3H3
InChIKeyYMLBIYXCJRLFQG-UHFFFAOYSA-N
XLogP1.98
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 51.98
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-[(3-cyclopropylphenyl)methyl]-2-methoxy-2-methylpropan-1-amine
CID 113450002
N-[(3-cyclopropylphenyl)methyl]-1-(4-ethylphenyl)methanamine
CID 106899392
N-[2-methyl-1-[(4-propan-2-ylphenyl)methylamino]propan-2-yl]methanesulfonamide
CID 63858902
1-[(3-cyclopropylphenyl)methylamino]-4,4-dimethylpentan-2-ol
CID 107151346
2-[(3-cyclopropylphenyl)methylamino]-2-methylpropanamide
CID 79979589
1-cyclopentyl-N-[(3-cyclopropylphenyl)methyl]methanamine
CID 79978912
1-cyclobutyl-N-[(3-cyclopropylphenyl)methyl]methanamine
CID 79979705
N'-[(3-cyclopropylphenyl)methyl]propane-1,3-diamine
CID 79979365
N-[(3-cyclopropylphenyl)methyl]-3-methylsulfanylpropan-1-amine
CID 79983696
N-[2-methyl-1-(4-phenylbutylamino)propan-2-yl]methanesulfonamide
CID 114333365
N'-[(3-cyclopropylphenyl)methyl]butane-1,4-diamine
CID 79979439

Frequently Asked Questions

What is the IUPAC name of N-[1-[(3-cyclopropylphenyl)methylamino]-2-methylpropan-2-yl]methanesulfonamide?
The IUPAC name of N-[1-[(3-cyclopropylphenyl)methylamino]-2-methylpropan-2-yl]methanesulfonamide (CID 79984386) is N-[1-[(3-cyclopropylphenyl)methylamino]-2-methylpropan-2-yl]methanesulfonamide.
What is the SMILES notation for N-[1-[(3-cyclopropylphenyl)methylamino]-2-methylpropan-2-yl]methanesulfonamide?
The canonical SMILES for N-[1-[(3-cyclopropylphenyl)methylamino]-2-methylpropan-2-yl]methanesulfonamide is CC(C)(CNCc1cccc(C2CC2)c1)NS(C)(=O)=O.
What is the InChIKey of N-[1-[(3-cyclopropylphenyl)methylamino]-2-methylpropan-2-yl]methanesulfonamide?
The InChIKey is YMLBIYXCJRLFQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S/c1-15(2,17-20(3,18)19)11-16-10-12-5-4-6-14(9-12)13-7-8-13/h4-6,9,13,16-17H,7-8,10-11H2,1-3H3.
What are the key properties of N-[1-[(3-cyclopropylphenyl)methylamino]-2-methylpropan-2-yl]methanesulfonamide?
N-[1-[(3-cyclopropylphenyl)methylamino]-2-methylpropan-2-yl]methanesulfonamide has a molecular weight of 296.44 g/mol, XLogP of 1.98, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3-cyclopropylphenyl)methylamino]-2-methylpropan-2-yl]methanesulfonamide is sourced from PubChem (CID 79984386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).