4-(aminomethyl)-N-cyclopropyl-N-(2-methoxyethyl)benzenesulfonamide

C13H20N2O3S — CID 61451779

IUPAC4-(aminomethyl)-N-cyclopropyl-N-(2-methoxyethyl)benzenesulfonamide
SMILESCOCCN(C1CC1)S(=O)(=O)c1ccc(CN)cc1
InChIInChI=1S/C13H20N2O3S/c1-18-9-8-15(12-4-5-12)19(16,17)13-6-2-11(10-14)3-7-13/h2-3,6-7,12H,4-5,8-10,14H2,1H3
InChIKeyLKRPZUWWDACOJL-UHFFFAOYSA-N
MW284.38 g/mol
LogP0.94
Rot. Bonds7

About 4-(aminomethyl)-N-cyclopropyl-N-(2-methoxyethyl)benzenesulfonamide

4-(aminomethyl)-N-cyclopropyl-N-(2-methoxyethyl)benzenesulfonamide (PubChem CID 61451779) has the molecular formula C13H20N2O3S and a molecular weight of 284.38 g/mol. Its IUPAC name is 4-(aminomethyl)-N-cyclopropyl-N-(2-methoxyethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-cyclopropyl-N-(2-methoxyethyl)benzenesulfonamide
PubChem CID61451779
Molecular FormulaC13H20N2O3S
Molecular Weight284.38 g/mol
Exact Mass284.12
IUPAC Name4-(aminomethyl)-N-cyclopropyl-N-(2-methoxyethyl)benzenesulfonamide
SMILESCOCCN(C1CC1)S(=O)(=O)c1ccc(CN)cc1
InChIInChI=1S/C13H20N2O3S/c1-18-9-8-15(12-4-5-12)19(16,17)13-6-2-11(10-14)3-7-13/h2-3,6-7,12H,4-5,8-10,14H2,1H3
InChIKeyLKRPZUWWDACOJL-UHFFFAOYSA-N
XLogP0.94
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-cyclopropyl-N-(2-methoxyethyl)benzenesulfonamide?
The IUPAC name of 4-(aminomethyl)-N-cyclopropyl-N-(2-methoxyethyl)benzenesulfonamide (CID 61451779) is 4-(aminomethyl)-N-cyclopropyl-N-(2-methoxyethyl)benzenesulfonamide.
What is the SMILES notation for 4-(aminomethyl)-N-cyclopropyl-N-(2-methoxyethyl)benzenesulfonamide?
The canonical SMILES for 4-(aminomethyl)-N-cyclopropyl-N-(2-methoxyethyl)benzenesulfonamide is COCCN(C1CC1)S(=O)(=O)c1ccc(CN)cc1.
What is the InChIKey of 4-(aminomethyl)-N-cyclopropyl-N-(2-methoxyethyl)benzenesulfonamide?
The InChIKey is LKRPZUWWDACOJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3S/c1-18-9-8-15(12-4-5-12)19(16,17)13-6-2-11(10-14)3-7-13/h2-3,6-7,12H,4-5,8-10,14H2,1H3.
What are the key properties of 4-(aminomethyl)-N-cyclopropyl-N-(2-methoxyethyl)benzenesulfonamide?
4-(aminomethyl)-N-cyclopropyl-N-(2-methoxyethyl)benzenesulfonamide has a molecular weight of 284.38 g/mol, XLogP of 0.94, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-cyclopropyl-N-(2-methoxyethyl)benzenesulfonamide is sourced from PubChem (CID 61451779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).