2-(methoxymethyl)-N-(2-propan-2-ylsulfonylethyl)aniline

C13H21NO3S — CID 106723452

IUPAC2-(methoxymethyl)-N-(2-propan-2-ylsulfonylethyl)aniline
SMILESCOCc1ccccc1NCCS(=O)(=O)C(C)C
InChIInChI=1S/C13H21NO3S/c1-11(2)18(15,16)9-8-14-13-7-5-4-6-12(13)10-17-3/h4-7,11,14H,8-10H2,1-3H3
InChIKeyLSGAMRDESYARIC-UHFFFAOYSA-N
MW271.38 g/mol
LogP2.07
Rot. Bonds7

About 2-(methoxymethyl)-N-(2-propan-2-ylsulfonylethyl)aniline

2-(methoxymethyl)-N-(2-propan-2-ylsulfonylethyl)aniline (PubChem CID 106723452) has the molecular formula C13H21NO3S and a molecular weight of 271.38 g/mol. Its IUPAC name is 2-(methoxymethyl)-N-(2-propan-2-ylsulfonylethyl)aniline.

Molecular Properties

Compound Name2-(methoxymethyl)-N-(2-propan-2-ylsulfonylethyl)aniline
PubChem CID106723452
Molecular FormulaC13H21NO3S
Molecular Weight271.38 g/mol
Exact Mass271.12
IUPAC Name2-(methoxymethyl)-N-(2-propan-2-ylsulfonylethyl)aniline
SMILESCOCc1ccccc1NCCS(=O)(=O)C(C)C
InChIInChI=1S/C13H21NO3S/c1-11(2)18(15,16)9-8-14-13-7-5-4-6-12(13)10-17-3/h4-7,11,14H,8-10H2,1-3H3
InChIKeyLSGAMRDESYARIC-UHFFFAOYSA-N
XLogP2.07
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.38
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(chloromethyl)-N-(2-propan-2-ylsulfonylethyl)aniline
CID 106730988
N-(2-fluoroethyl)-2-(methoxymethyl)aniline
CID 80695014
N-(2-propan-2-ylsulfonylethyl)-2-(trifluoromethoxy)aniline
CID 106723037
2-(methoxymethyl)-N-(2-propoxyethyl)aniline
CID 106451815
5-[2-(methoxymethyl)anilino]pentan-1-ol
CID 62229017
N-[2-(methoxymethyl)phenyl]-3-(methylamino)propane-1-sulfonamide
CID 106003223
2-(ethylamino)-N-[2-(methoxymethyl)phenyl]ethanesulfonamide
CID 54972159
N-benzyl-2-(methoxymethyl)aniline
CID 43677932
2,5-dimethyl-N-(2-propan-2-ylsulfonylethyl)aniline
CID 106723108
1-chloro-N-[2-(methoxymethyl)phenyl]methanesulfonamide
CID 63664132
N-(2-propan-2-ylsulfonylethyl)-5,6,7,8-tetrahydronaphthalen-1-amine
CID 106722965
2-amino-3-[2-(methoxymethyl)anilino]propanamide
CID 103247186

Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)-N-(2-propan-2-ylsulfonylethyl)aniline?
The IUPAC name of 2-(methoxymethyl)-N-(2-propan-2-ylsulfonylethyl)aniline (CID 106723452) is 2-(methoxymethyl)-N-(2-propan-2-ylsulfonylethyl)aniline.
What is the SMILES notation for 2-(methoxymethyl)-N-(2-propan-2-ylsulfonylethyl)aniline?
The canonical SMILES for 2-(methoxymethyl)-N-(2-propan-2-ylsulfonylethyl)aniline is COCc1ccccc1NCCS(=O)(=O)C(C)C.
What is the InChIKey of 2-(methoxymethyl)-N-(2-propan-2-ylsulfonylethyl)aniline?
The InChIKey is LSGAMRDESYARIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO3S/c1-11(2)18(15,16)9-8-14-13-7-5-4-6-12(13)10-17-3/h4-7,11,14H,8-10H2,1-3H3.
What are the key properties of 2-(methoxymethyl)-N-(2-propan-2-ylsulfonylethyl)aniline?
2-(methoxymethyl)-N-(2-propan-2-ylsulfonylethyl)aniline has a molecular weight of 271.38 g/mol, XLogP of 2.07, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)-N-(2-propan-2-ylsulfonylethyl)aniline is sourced from PubChem (CID 106723452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).