N-[4-(aminomethyl)-2-methoxyphenyl]cyclopropanesulfonamide

C11H16N2O3S — CID 113460263

IUPACN-[4-(aminomethyl)-2-methoxyphenyl]cyclopropanesulfonamide
SMILESCOc1cc(CN)ccc1NS(=O)(=O)C1CC1
InChIInChI=1S/C11H16N2O3S/c1-16-11-6-8(7-12)2-5-10(11)13-17(14,15)9-3-4-9/h2,5-6,9,13H,3-4,7,12H2,1H3
InChIKeyWNFZQAGHDNRKFS-UHFFFAOYSA-N
MW256.33 g/mol
LogP1.06
Rot. Bonds5

About N-[4-(aminomethyl)-2-methoxyphenyl]cyclopropanesulfonamide

N-[4-(aminomethyl)-2-methoxyphenyl]cyclopropanesulfonamide (PubChem CID 113460263) has the molecular formula C11H16N2O3S and a molecular weight of 256.33 g/mol. Its IUPAC name is N-[4-(aminomethyl)-2-methoxyphenyl]cyclopropanesulfonamide.

Molecular Properties

Compound NameN-[4-(aminomethyl)-2-methoxyphenyl]cyclopropanesulfonamide
PubChem CID113460263
Molecular FormulaC11H16N2O3S
Molecular Weight256.33 g/mol
Exact Mass256.09
IUPAC NameN-[4-(aminomethyl)-2-methoxyphenyl]cyclopropanesulfonamide
SMILESCOc1cc(CN)ccc1NS(=O)(=O)C1CC1
InChIInChI=1S/C11H16N2O3S/c1-16-11-6-8(7-12)2-5-10(11)13-17(14,15)9-3-4-9/h2,5-6,9,13H,3-4,7,12H2,1H3
InChIKeyWNFZQAGHDNRKFS-UHFFFAOYSA-N
XLogP1.06
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 ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(aminomethyl)-N-(ethylsulfamoyl)-2-methoxyaniline
CID 114804139
N-[4-(aminomethyl)-2-methoxyphenyl]pyrrolidine-1-sulfonamide
CID 104847754
4-(aminomethyl)-N-(tert-butylsulfamoyl)-2-methoxyaniline
CID 114804141
4-(aminomethyl)-2-methoxy-N-(2-methylpropylsulfamoyl)aniline
CID 114813992
N-[4-(aminomethyl)-2-methoxyphenyl]-4-methylbenzenesulfonamide
CID 104847775
N-[4-(aminomethyl)-2-(trifluoromethyl)phenyl]cyclopentanesulfonamide
CID 105360475
N-[2-(aminomethyl)-4-fluorophenyl]cyclopropanesulfonamide
CID 82014016
N-[4-(aminomethyl)-2-methoxyphenyl]-1H-imidazole-5-sulfonamide
CID 104847766
N-[4-(aminomethyl)-2-methoxyphenyl]-2-cyclohexylacetamide
CID 104847616
N-[2-(4-ethyl-2-fluoroanilino)-3,4-difluoro-6-methoxyphenyl]cyclopropanesulfonamide
CID 123434942
N-[4-(aminomethyl)-2-methoxyphenyl]azepane-1-carboxamide
CID 104848512
[3-(cyclohexylsulfonylmethyl)-4-methoxyphenyl]methanamine
CID 64673615

Frequently Asked Questions

What is the IUPAC name of N-[4-(aminomethyl)-2-methoxyphenyl]cyclopropanesulfonamide?
The IUPAC name of N-[4-(aminomethyl)-2-methoxyphenyl]cyclopropanesulfonamide (CID 113460263) is N-[4-(aminomethyl)-2-methoxyphenyl]cyclopropanesulfonamide.
What is the SMILES notation for N-[4-(aminomethyl)-2-methoxyphenyl]cyclopropanesulfonamide?
The canonical SMILES for N-[4-(aminomethyl)-2-methoxyphenyl]cyclopropanesulfonamide is COc1cc(CN)ccc1NS(=O)(=O)C1CC1.
What is the InChIKey of N-[4-(aminomethyl)-2-methoxyphenyl]cyclopropanesulfonamide?
The InChIKey is WNFZQAGHDNRKFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3S/c1-16-11-6-8(7-12)2-5-10(11)13-17(14,15)9-3-4-9/h2,5-6,9,13H,3-4,7,12H2,1H3.
What are the key properties of N-[4-(aminomethyl)-2-methoxyphenyl]cyclopropanesulfonamide?
N-[4-(aminomethyl)-2-methoxyphenyl]cyclopropanesulfonamide has a molecular weight of 256.33 g/mol, XLogP of 1.06, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(aminomethyl)-2-methoxyphenyl]cyclopropanesulfonamide is sourced from PubChem (CID 113460263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).