N-(5-amino-2-methoxyphenyl)-1-cyclopropylmethanesulfonamide

C11H16N2O3S — CID 64987464

IUPACN-(5-amino-2-methoxyphenyl)-1-cyclopropylmethanesulfonamide
SMILESCOc1ccc(N)cc1NS(=O)(=O)CC1CC1
InChIInChI=1S/C11H16N2O3S/c1-16-11-5-4-9(12)6-10(11)13-17(14,15)7-8-2-3-8/h4-6,8,13H,2-3,7,12H2,1H3
InChIKeyPKTLLONZPUXTGR-UHFFFAOYSA-N
MW256.33 g/mol
LogP1.43
Rot. Bonds5

About N-(5-amino-2-methoxyphenyl)-1-cyclopropylmethanesulfonamide

N-(5-amino-2-methoxyphenyl)-1-cyclopropylmethanesulfonamide (PubChem CID 64987464) has the molecular formula C11H16N2O3S and a molecular weight of 256.33 g/mol. Its IUPAC name is N-(5-amino-2-methoxyphenyl)-1-cyclopropylmethanesulfonamide.

Molecular Properties

Compound NameN-(5-amino-2-methoxyphenyl)-1-cyclopropylmethanesulfonamide
PubChem CID64987464
Molecular FormulaC11H16N2O3S
Molecular Weight256.33 g/mol
Exact Mass256.09
IUPAC NameN-(5-amino-2-methoxyphenyl)-1-cyclopropylmethanesulfonamide
SMILESCOc1ccc(N)cc1NS(=O)(=O)CC1CC1
InChIInChI=1S/C11H16N2O3S/c1-16-11-5-4-9(12)6-10(11)13-17(14,15)7-8-2-3-8/h4-6,8,13H,2-3,7,12H2,1H3
InChIKeyPKTLLONZPUXTGR-UHFFFAOYSA-N
XLogP1.43
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-amino-2-methoxyphenyl)-1-cyclohexylmethanesulfonamide
CID 61453809
4-(cyclopropylmethylsulfonylamino)-3-methoxybenzenecarbothioamide
CID 104849504
5-(cyclopropylmethylsulfonylamino)-2-methoxybenzenesulfonamide
CID 64987778
N-(5-amino-2-fluorophenyl)-1-cyclohexylmethanesulfonamide
CID 61453724
5-amino-N-(4-ethylcyclohexyl)-2-methoxybenzenesulfonamide
CID 61467171
N-(5-amino-2-methoxyphenyl)-5-ethylthiophene-2-sulfonamide
CID 61454236
N-(3-amino-2,4-dimethylphenyl)-1-cyclopropylmethanesulfonamide
CID 64988981
N-(5-amino-2-methoxyphenyl)-3,4-dimethylbenzenesulfonamide
CID 28941375
1-cyclopropyl-N-(2-hydroxy-6-methoxyphenyl)methanesulfonamide
CID 114764767
4-(cyclohexylmethylsulfonyl)-3-methoxyaniline
CID 81206561
ethyl 2-[(4-amino-2-methoxyphenyl)sulfamoyl]acetate
CID 61456593
N-(5-amino-2-methoxyphenyl)-2,6-dichlorobenzenesulfonamide
CID 43603701

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-methoxyphenyl)-1-cyclopropylmethanesulfonamide?
The IUPAC name of N-(5-amino-2-methoxyphenyl)-1-cyclopropylmethanesulfonamide (CID 64987464) is N-(5-amino-2-methoxyphenyl)-1-cyclopropylmethanesulfonamide.
What is the SMILES notation for N-(5-amino-2-methoxyphenyl)-1-cyclopropylmethanesulfonamide?
The canonical SMILES for N-(5-amino-2-methoxyphenyl)-1-cyclopropylmethanesulfonamide is COc1ccc(N)cc1NS(=O)(=O)CC1CC1.
What is the InChIKey of N-(5-amino-2-methoxyphenyl)-1-cyclopropylmethanesulfonamide?
The InChIKey is PKTLLONZPUXTGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3S/c1-16-11-5-4-9(12)6-10(11)13-17(14,15)7-8-2-3-8/h4-6,8,13H,2-3,7,12H2,1H3.
What are the key properties of N-(5-amino-2-methoxyphenyl)-1-cyclopropylmethanesulfonamide?
N-(5-amino-2-methoxyphenyl)-1-cyclopropylmethanesulfonamide has a molecular weight of 256.33 g/mol, XLogP of 1.43, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-2-methoxyphenyl)-1-cyclopropylmethanesulfonamide is sourced from PubChem (CID 64987464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).