N-[2-[(3-methoxy-3-methylbutyl)amino]phenyl]methanesulfonamide

C13H22N2O3S — CID 106675317

IUPACN-[2-[(3-methoxy-3-methylbutyl)amino]phenyl]methanesulfonamide
SMILESCOC(C)(C)CCNc1ccccc1NS(C)(=O)=O
InChIInChI=1S/C13H22N2O3S/c1-13(2,18-3)9-10-14-11-7-5-6-8-12(11)15-19(4,16)17/h5-8,14-15H,9-10H2,1-4H3
InChIKeyJNNUPEIABWJXRJ-UHFFFAOYSA-N
MW286.40 g/mol
LogP2.29
Rot. Bonds7

About N-[2-[(3-methoxy-3-methylbutyl)amino]phenyl]methanesulfonamide

N-[2-[(3-methoxy-3-methylbutyl)amino]phenyl]methanesulfonamide (PubChem CID 106675317) has the molecular formula C13H22N2O3S and a molecular weight of 286.40 g/mol. Its IUPAC name is N-[2-[(3-methoxy-3-methylbutyl)amino]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[(3-methoxy-3-methylbutyl)amino]phenyl]methanesulfonamide
PubChem CID106675317
Molecular FormulaC13H22N2O3S
Molecular Weight286.40 g/mol
Exact Mass286.14
IUPAC NameN-[2-[(3-methoxy-3-methylbutyl)amino]phenyl]methanesulfonamide
SMILESCOC(C)(C)CCNc1ccccc1NS(C)(=O)=O
InChIInChI=1S/C13H22N2O3S/c1-13(2,18-3)9-10-14-11-7-5-6-8-12(11)15-19(4,16)17/h5-8,14-15H,9-10H2,1-4H3
InChIKeyJNNUPEIABWJXRJ-UHFFFAOYSA-N
XLogP2.29
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethylsulfonyl-N-(3-methoxy-3-methylbutyl)aniline
CID 106675293
2-fluoro-N-(3-methoxy-3-methylbutyl)aniline
CID 102975543
N-[2-(2,2-dimethylpropylamino)phenyl]methanesulfonamide
CID 61324135
N-[2-chloro-4-[(3-methoxy-3-methylbutyl)amino]phenyl]methanesulfonamide
CID 106675322
2-(chloromethyl)-N-(3-methoxy-3-methylbutyl)aniline
CID 103037176
N-(3-methoxy-3-methylbutyl)-2-(2,2,2-trifluoroethylsulfanyl)aniline
CID 102975645
N-[2-(pyrimidin-5-ylmethylamino)phenyl]methanesulfonamide
CID 62759740
N-(3-methoxy-3-methylbutyl)-2-(pyrrolidin-1-ylmethyl)aniline
CID 102975712
1-[[2-(methanesulfonamido)phenyl]methyl]-3-(2-methoxy-2-methylpropyl)-2-methylguanidine
CID 111608135
N-(3-methoxy-3-methylbutyl)quinolin-8-amine
CID 106675039
sodium;hydride;N-(2-methylphenyl)methanesulfonamide
CID 173445438
2-(tert-butylamino)-N-[2-(methanesulfonamido)phenyl]acetamide
CID 78923641

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3-methoxy-3-methylbutyl)amino]phenyl]methanesulfonamide?
The IUPAC name of N-[2-[(3-methoxy-3-methylbutyl)amino]phenyl]methanesulfonamide (CID 106675317) is N-[2-[(3-methoxy-3-methylbutyl)amino]phenyl]methanesulfonamide.
What is the SMILES notation for N-[2-[(3-methoxy-3-methylbutyl)amino]phenyl]methanesulfonamide?
The canonical SMILES for N-[2-[(3-methoxy-3-methylbutyl)amino]phenyl]methanesulfonamide is COC(C)(C)CCNc1ccccc1NS(C)(=O)=O.
What is the InChIKey of N-[2-[(3-methoxy-3-methylbutyl)amino]phenyl]methanesulfonamide?
The InChIKey is JNNUPEIABWJXRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3S/c1-13(2,18-3)9-10-14-11-7-5-6-8-12(11)15-19(4,16)17/h5-8,14-15H,9-10H2,1-4H3.
What are the key properties of N-[2-[(3-methoxy-3-methylbutyl)amino]phenyl]methanesulfonamide?
N-[2-[(3-methoxy-3-methylbutyl)amino]phenyl]methanesulfonamide has a molecular weight of 286.40 g/mol, XLogP of 2.29, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3-methoxy-3-methylbutyl)amino]phenyl]methanesulfonamide is sourced from PubChem (CID 106675317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).