N-[2-(2,2-dimethylpropylamino)phenyl]methanesulfonamide

C12H20N2O2S — CID 61324135

IUPACN-[2-(2,2-dimethylpropylamino)phenyl]methanesulfonamide
SMILESCC(C)(C)CNc1ccccc1NS(C)(=O)=O
InChIInChI=1S/C12H20N2O2S/c1-12(2,3)9-13-10-7-5-6-8-11(10)14-17(4,15)16/h5-8,13-14H,9H2,1-4H3
InChIKeyTWZXTLNFJPFJSN-UHFFFAOYSA-N
MW256.37 g/mol
LogP2.52
Rot. Bonds4

About N-[2-(2,2-dimethylpropylamino)phenyl]methanesulfonamide

N-[2-(2,2-dimethylpropylamino)phenyl]methanesulfonamide (PubChem CID 61324135) has the molecular formula C12H20N2O2S and a molecular weight of 256.37 g/mol. Its IUPAC name is N-[2-(2,2-dimethylpropylamino)phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-(2,2-dimethylpropylamino)phenyl]methanesulfonamide
PubChem CID61324135
Molecular FormulaC12H20N2O2S
Molecular Weight256.37 g/mol
Exact Mass256.12
IUPAC NameN-[2-(2,2-dimethylpropylamino)phenyl]methanesulfonamide
SMILESCC(C)(C)CNc1ccccc1NS(C)(=O)=O
InChIInChI=1S/C12H20N2O2S/c1-12(2,3)9-13-10-7-5-6-8-11(10)14-17(4,15)16/h5-8,13-14H,9H2,1-4H3
InChIKeyTWZXTLNFJPFJSN-UHFFFAOYSA-N
XLogP2.52
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-N,2-N-bis(2,2-dimethylpropyl)benzene-1,2-diamine
CID 5250269
N-[2-[(3-methoxy-3-methylbutyl)amino]phenyl]methanesulfonamide
CID 106675317
2-(2,2-dimethylpropylamino)benzenesulfonamide
CID 61166662
N-[2-[(1-methylpyrrol-2-yl)methylamino]phenyl]methanesulfonamide
CID 62131328
N-[2-(furan-3-ylmethylamino)phenyl]methanesulfonamide
CID 63204687
N-[2-(pyrimidin-5-ylmethylamino)phenyl]methanesulfonamide
CID 62759740
2-(tert-butylamino)-N-[2-(methanesulfonamido)phenyl]acetamide
CID 78923641
N-[2-[(5-methylfuran-2-yl)methylamino]phenyl]methanesulfonamide
CID 43744046
N-[2-(methanesulfonamido)phenyl]-2-methylbenzenesulfonamide
CID 113093452
[2-(methanesulfonamido)phenyl]methanesulfonamide
CID 170547357
N-[2-[(5-chlorothiophen-2-yl)methylamino]phenyl]methanesulfonamide
CID 43743995
2-tert-butyl-N-(2,2-dimethylpropyl)aniline
CID 63426950

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,2-dimethylpropylamino)phenyl]methanesulfonamide?
The IUPAC name of N-[2-(2,2-dimethylpropylamino)phenyl]methanesulfonamide (CID 61324135) is N-[2-(2,2-dimethylpropylamino)phenyl]methanesulfonamide.
What is the SMILES notation for N-[2-(2,2-dimethylpropylamino)phenyl]methanesulfonamide?
The canonical SMILES for N-[2-(2,2-dimethylpropylamino)phenyl]methanesulfonamide is CC(C)(C)CNc1ccccc1NS(C)(=O)=O.
What is the InChIKey of N-[2-(2,2-dimethylpropylamino)phenyl]methanesulfonamide?
The InChIKey is TWZXTLNFJPFJSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2S/c1-12(2,3)9-13-10-7-5-6-8-11(10)14-17(4,15)16/h5-8,13-14H,9H2,1-4H3.
What are the key properties of N-[2-(2,2-dimethylpropylamino)phenyl]methanesulfonamide?
N-[2-(2,2-dimethylpropylamino)phenyl]methanesulfonamide has a molecular weight of 256.37 g/mol, XLogP of 2.52, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,2-dimethylpropylamino)phenyl]methanesulfonamide is sourced from PubChem (CID 61324135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).