1-(4-aminophenyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]methanesulfonamide

C13H20N2O2S — CID 63877718

IUPAC1-(4-aminophenyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]methanesulfonamide
SMILESCC1CC1CN(C)S(=O)(=O)Cc1ccc(N)cc1
InChIInChI=1S/C13H20N2O2S/c1-10-7-12(10)8-15(2)18(16,17)9-11-3-5-13(14)6-4-11/h3-6,10,12H,7-9,14H2,1-2H3
InChIKeyHWEDYAYVBGKRGX-UHFFFAOYSA-N
MW268.38 g/mol
LogP1.69
Rot. Bonds5

About 1-(4-aminophenyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]methanesulfonamide

1-(4-aminophenyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]methanesulfonamide (PubChem CID 63877718) has the molecular formula C13H20N2O2S and a molecular weight of 268.38 g/mol. Its IUPAC name is 1-(4-aminophenyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]methanesulfonamide.

Molecular Properties

Compound Name1-(4-aminophenyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]methanesulfonamide
PubChem CID63877718
Molecular FormulaC13H20N2O2S
Molecular Weight268.38 g/mol
Exact Mass268.12
IUPAC Name1-(4-aminophenyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]methanesulfonamide
SMILESCC1CC1CN(C)S(=O)(=O)Cc1ccc(N)cc1
InChIInChI=1S/C13H20N2O2S/c1-10-7-12(10)8-15(2)18(16,17)9-11-3-5-13(14)6-4-11/h3-6,10,12H,7-9,14H2,1-2H3
InChIKeyHWEDYAYVBGKRGX-UHFFFAOYSA-N
XLogP1.69
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-[[methyl-[(2-methylcyclopropyl)methyl]sulfamoyl]methyl]benzenecarbothioamide
CID 63865443
1-(2-aminophenyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]methanesulfonamide
CID 63879084
1-(4-aminophenyl)-N-[(4-fluorophenyl)methyl]-N-methylmethanesulfonamide
CID 43576201
5-amino-N-methyl-N-[(2-methylcyclopropyl)methyl]-1H-indole-3-sulfonamide
CID 64851686
1-(4-aminophenyl)-N-(2-hydroxycyclohexyl)-N-methylmethanesulfonamide
CID 102631235
2-amino-N,4,5-trimethyl-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide
CID 63878730
1-(4-aminophenyl)-N-[(2-chlorophenyl)methyl]-N-methylmethanesulfonamide
CID 61105924
N-methyl-4-(methylaminomethyl)-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide
CID 63860031
3-amino-2-bromo-5-chloro-N-methyl-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide
CID 63879925
6-amino-N,2,3-trimethyl-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide
CID 55258237
4-amino-3-fluoro-N-methyl-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide
CID 82844261
4-[[cyclopropylmethyl(methyl)sulfamoyl]methyl]benzoic acid
CID 60952320

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminophenyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]methanesulfonamide?
The IUPAC name of 1-(4-aminophenyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]methanesulfonamide (CID 63877718) is 1-(4-aminophenyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]methanesulfonamide.
What is the SMILES notation for 1-(4-aminophenyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]methanesulfonamide?
The canonical SMILES for 1-(4-aminophenyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]methanesulfonamide is CC1CC1CN(C)S(=O)(=O)Cc1ccc(N)cc1.
What is the InChIKey of 1-(4-aminophenyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]methanesulfonamide?
The InChIKey is HWEDYAYVBGKRGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S/c1-10-7-12(10)8-15(2)18(16,17)9-11-3-5-13(14)6-4-11/h3-6,10,12H,7-9,14H2,1-2H3.
What are the key properties of 1-(4-aminophenyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]methanesulfonamide?
1-(4-aminophenyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]methanesulfonamide has a molecular weight of 268.38 g/mol, XLogP of 1.69, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminophenyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]methanesulfonamide is sourced from PubChem (CID 63877718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).