1-(2-aminophenyl)-N-methyl-N-pentylmethanesulfonamide

C13H22N2O2S — CID 62020148

IUPAC1-(2-aminophenyl)-N-methyl-N-pentylmethanesulfonamide
SMILESCCCCCN(C)S(=O)(=O)Cc1ccccc1N
InChIInChI=1S/C13H22N2O2S/c1-3-4-7-10-15(2)18(16,17)11-12-8-5-6-9-13(12)14/h5-6,8-9H,3-4,7,10-11,14H2,1-2H3
InChIKeyNYJXSGRXSFJIOC-UHFFFAOYSA-N
MW270.40 g/mol
LogP2.22
Rot. Bonds7

About 1-(2-aminophenyl)-N-methyl-N-pentylmethanesulfonamide

1-(2-aminophenyl)-N-methyl-N-pentylmethanesulfonamide (PubChem CID 62020148) has the molecular formula C13H22N2O2S and a molecular weight of 270.40 g/mol. Its IUPAC name is 1-(2-aminophenyl)-N-methyl-N-pentylmethanesulfonamide.

Molecular Properties

Compound Name1-(2-aminophenyl)-N-methyl-N-pentylmethanesulfonamide
PubChem CID62020148
Molecular FormulaC13H22N2O2S
Molecular Weight270.40 g/mol
Exact Mass270.14
IUPAC Name1-(2-aminophenyl)-N-methyl-N-pentylmethanesulfonamide
SMILESCCCCCN(C)S(=O)(=O)Cc1ccccc1N
InChIInChI=1S/C13H22N2O2S/c1-3-4-7-10-15(2)18(16,17)11-12-8-5-6-9-13(12)14/h5-6,8-9H,3-4,7,10-11,14H2,1-2H3
InChIKeyNYJXSGRXSFJIOC-UHFFFAOYSA-N
XLogP2.22
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.40
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-(2-aminophenyl)-N,N-dibutylmethanesulfonamide
CID 62020523
2-[(2-aminophenyl)methylsulfonyl-methylamino]acetamide
CID 62020888
1-(2-aminophenyl)-N-[(2-hydroxyphenyl)methyl]-N-methylmethanesulfonamide
CID 62022053
1-(2-aminophenyl)-N-methyl-N-propan-2-ylmethanesulfonamide
CID 62022605
1-(2-aminophenyl)-N-(furan-2-ylmethyl)-N-methylmethanesulfonamide
CID 62022626
2-[(2-aminophenyl)methylsulfonyl-methylamino]-N,N-diethylacetamide
CID 62020164
methyl 2-[(2-aminophenyl)methylsulfonyl-methylamino]acetate
CID 62021460
1-(2-aminophenyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]methanesulfonamide
CID 63879084
1-(2-aminophenyl)-N-methyl-N-(1-methylsulfanylbutan-2-yl)methanesulfonamide
CID 112656646
2-[[ethyl(pentyl)amino]methyl]aniline
CID 43459376
2-[2-[pentyl(propan-2-yl)amino]ethyl]aniline
CID 55079155
1-(2-aminophenyl)-N-[(4-bromothiophen-2-yl)methyl]-N-methylmethanesulfonamide
CID 62022448

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminophenyl)-N-methyl-N-pentylmethanesulfonamide?
The IUPAC name of 1-(2-aminophenyl)-N-methyl-N-pentylmethanesulfonamide (CID 62020148) is 1-(2-aminophenyl)-N-methyl-N-pentylmethanesulfonamide.
What is the SMILES notation for 1-(2-aminophenyl)-N-methyl-N-pentylmethanesulfonamide?
The canonical SMILES for 1-(2-aminophenyl)-N-methyl-N-pentylmethanesulfonamide is CCCCCN(C)S(=O)(=O)Cc1ccccc1N.
What is the InChIKey of 1-(2-aminophenyl)-N-methyl-N-pentylmethanesulfonamide?
The InChIKey is NYJXSGRXSFJIOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2S/c1-3-4-7-10-15(2)18(16,17)11-12-8-5-6-9-13(12)14/h5-6,8-9H,3-4,7,10-11,14H2,1-2H3.
What are the key properties of 1-(2-aminophenyl)-N-methyl-N-pentylmethanesulfonamide?
1-(2-aminophenyl)-N-methyl-N-pentylmethanesulfonamide has a molecular weight of 270.40 g/mol, XLogP of 2.22, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminophenyl)-N-methyl-N-pentylmethanesulfonamide is sourced from PubChem (CID 62020148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).