N-(3-amino-2-methylpropyl)-3-methoxybenzenesulfonamide

C11H18N2O3S — CID 115271577

IUPACN-(3-amino-2-methylpropyl)-3-methoxybenzenesulfonamide
SMILESCOc1cccc(S(=O)(=O)NCC(C)CN)c1
InChIInChI=1S/C11H18N2O3S/c1-9(7-12)8-13-17(14,15)11-5-3-4-10(6-11)16-2/h3-6,9,13H,7-8,12H2,1-2H3
InChIKeySIBOFHVJSRRPJK-UHFFFAOYSA-N
MW258.34 g/mol
LogP0.57
Rot. Bonds6

About N-(3-amino-2-methylpropyl)-3-methoxybenzenesulfonamide

N-(3-amino-2-methylpropyl)-3-methoxybenzenesulfonamide (PubChem CID 115271577) has the molecular formula C11H18N2O3S and a molecular weight of 258.34 g/mol. Its IUPAC name is N-(3-amino-2-methylpropyl)-3-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-(3-amino-2-methylpropyl)-3-methoxybenzenesulfonamide
PubChem CID115271577
Molecular FormulaC11H18N2O3S
Molecular Weight258.34 g/mol
Exact Mass258.10
IUPAC NameN-(3-amino-2-methylpropyl)-3-methoxybenzenesulfonamide
SMILESCOc1cccc(S(=O)(=O)NCC(C)CN)c1
InChIInChI=1S/C11H18N2O3S/c1-9(7-12)8-13-17(14,15)11-5-3-4-10(6-11)16-2/h3-6,9,13H,7-8,12H2,1-2H3
InChIKeySIBOFHVJSRRPJK-UHFFFAOYSA-N
XLogP0.57
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.34
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-amino-2-methylpropyl)-3-fluorobenzenesulfonamide;hydrochloride
CID 120582009
N-(1-amino-3-methylbutan-2-yl)-3-methoxybenzenesulfonamide
CID 81259771
N-(2-ethyl-4-hydroxybutyl)-3-methoxybenzenesulfonamide
CID 81259105
3-methoxy-N-[3-(propan-2-ylamino)propyl]benzenesulfonamide
CID 81259985
3-methoxy-4-[(3-methoxyphenyl)sulfonylamino]butanoic acid
CID 103153533
N-(2-hydroxyethyl)-3-methoxybenzenesulfonamide
CID 81258228
N-[(2R)-2-cyclohexyl-2-hydroxyethyl]-3-methoxybenzenesulfonamide
CID 95367533
N-(2-cyclohexyl-2-hydroxyethyl)-3-methoxybenzenesulfonamide
CID 56764321
methyl 2-[(3-methoxyphenyl)sulfonylamino]propanoate
CID 81260226
N-but-3-ynyl-3-methoxybenzenesulfonamide
CID 90537996
3-amino-N-[(3-methoxyphenyl)methyl]benzenesulfonamide
CID 61028648
N-[2-methoxy-2-(3-methoxyphenyl)ethyl]naphthalene-2-sulfonamide
CID 90623489

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2-methylpropyl)-3-methoxybenzenesulfonamide?
The IUPAC name of N-(3-amino-2-methylpropyl)-3-methoxybenzenesulfonamide (CID 115271577) is N-(3-amino-2-methylpropyl)-3-methoxybenzenesulfonamide.
What is the SMILES notation for N-(3-amino-2-methylpropyl)-3-methoxybenzenesulfonamide?
The canonical SMILES for N-(3-amino-2-methylpropyl)-3-methoxybenzenesulfonamide is COc1cccc(S(=O)(=O)NCC(C)CN)c1.
What is the InChIKey of N-(3-amino-2-methylpropyl)-3-methoxybenzenesulfonamide?
The InChIKey is SIBOFHVJSRRPJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3S/c1-9(7-12)8-13-17(14,15)11-5-3-4-10(6-11)16-2/h3-6,9,13H,7-8,12H2,1-2H3.
What are the key properties of N-(3-amino-2-methylpropyl)-3-methoxybenzenesulfonamide?
N-(3-amino-2-methylpropyl)-3-methoxybenzenesulfonamide has a molecular weight of 258.34 g/mol, XLogP of 0.57, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2-methylpropyl)-3-methoxybenzenesulfonamide is sourced from PubChem (CID 115271577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).