N-[1-[1-(4-methoxyphenyl)propan-2-ylamino]-2-methylpropan-2-yl]methanesulfonamide

C15H26N2O3S — CID 63859125

IUPACN-[1-[1-(4-methoxyphenyl)propan-2-ylamino]-2-methylpropan-2-yl]methanesulfonamide
SMILESCOc1ccc(CC(C)NCC(C)(C)NS(C)(=O)=O)cc1
InChIInChI=1S/C15H26N2O3S/c1-12(10-13-6-8-14(20-4)9-7-13)16-11-15(2,3)17-21(5,18)19/h6-9,12,16-17H,10-11H2,1-5H3
InChIKeyXOFHOHRWZDCPFQ-UHFFFAOYSA-N
MW314.45 g/mol
LogP1.54
Rot. Bonds8

About N-[1-[1-(4-methoxyphenyl)propan-2-ylamino]-2-methylpropan-2-yl]methanesulfonamide

N-[1-[1-(4-methoxyphenyl)propan-2-ylamino]-2-methylpropan-2-yl]methanesulfonamide (PubChem CID 63859125) has the molecular formula C15H26N2O3S and a molecular weight of 314.45 g/mol. Its IUPAC name is N-[1-[1-(4-methoxyphenyl)propan-2-ylamino]-2-methylpropan-2-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-[1-(4-methoxyphenyl)propan-2-ylamino]-2-methylpropan-2-yl]methanesulfonamide
PubChem CID63859125
Molecular FormulaC15H26N2O3S
Molecular Weight314.45 g/mol
Exact Mass314.17
IUPAC NameN-[1-[1-(4-methoxyphenyl)propan-2-ylamino]-2-methylpropan-2-yl]methanesulfonamide
SMILESCOc1ccc(CC(C)NCC(C)(C)NS(C)(=O)=O)cc1
InChIInChI=1S/C15H26N2O3S/c1-12(10-13-6-8-14(20-4)9-7-13)16-11-15(2,3)17-21(5,18)19/h6-9,12,16-17H,10-11H2,1-5H3
InChIKeyXOFHOHRWZDCPFQ-UHFFFAOYSA-N
XLogP1.54
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.45
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[1-(2-hydroxy-4-methoxyphenyl)ethylamino]-2-methylpropan-2-yl]methanesulfonamide
CID 63860315
(2R)-1-(4-methoxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]propan-2-amine
CID 6962704
(2S)-1-(4-methoxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]propan-2-amine
CID 6962702
N-[1-(4-methoxyphenyl)propan-2-yl]-2,4,4-trimethylpentan-2-amine
CID 43731289
N-[1-[4-(4-methoxyphenyl)phenyl]propan-2-yl]-2-methylpropan-1-amine
CID 82262403
1-(4-methoxyphenyl)-N-(2-methoxypropyl)propan-2-amine
CID 102696593
3,3,3-trifluoro-N-[1-(4-methoxyphenyl)propan-2-yl]propan-1-amine
CID 63226596
N-tert-butyl-3-[1-(4-methoxyphenyl)propan-2-ylamino]propanamide
CID 115889425
1-(4-methoxyphenyl)-N-(1,1,2,2,2-pentadeuterioethyl)propan-2-amine
CID 71316455
N-[1-(4-methoxyphenyl)propan-2-yl]-3-methylsulfanylbutan-1-amine
CID 115716045
4-[1-amino-1-hydroxy-2-[1-(4-methoxyphenyl)propan-2-ylamino]ethyl]phenol
CID 174803609
N-[1-(4-methoxyphenyl)propan-2-yl]-4-methylpentan-1-amine
CID 54914161

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-(4-methoxyphenyl)propan-2-ylamino]-2-methylpropan-2-yl]methanesulfonamide?
The IUPAC name of N-[1-[1-(4-methoxyphenyl)propan-2-ylamino]-2-methylpropan-2-yl]methanesulfonamide (CID 63859125) is N-[1-[1-(4-methoxyphenyl)propan-2-ylamino]-2-methylpropan-2-yl]methanesulfonamide.
What is the SMILES notation for N-[1-[1-(4-methoxyphenyl)propan-2-ylamino]-2-methylpropan-2-yl]methanesulfonamide?
The canonical SMILES for N-[1-[1-(4-methoxyphenyl)propan-2-ylamino]-2-methylpropan-2-yl]methanesulfonamide is COc1ccc(CC(C)NCC(C)(C)NS(C)(=O)=O)cc1.
What is the InChIKey of N-[1-[1-(4-methoxyphenyl)propan-2-ylamino]-2-methylpropan-2-yl]methanesulfonamide?
The InChIKey is XOFHOHRWZDCPFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3S/c1-12(10-13-6-8-14(20-4)9-7-13)16-11-15(2,3)17-21(5,18)19/h6-9,12,16-17H,10-11H2,1-5H3.
What are the key properties of N-[1-[1-(4-methoxyphenyl)propan-2-ylamino]-2-methylpropan-2-yl]methanesulfonamide?
N-[1-[1-(4-methoxyphenyl)propan-2-ylamino]-2-methylpropan-2-yl]methanesulfonamide has a molecular weight of 314.45 g/mol, XLogP of 1.54, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-(4-methoxyphenyl)propan-2-ylamino]-2-methylpropan-2-yl]methanesulfonamide is sourced from PubChem (CID 63859125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).