N-(1-amino-3-methylbutan-2-yl)-3-methoxybenzenesulfonamide

C12H20N2O3S — CID 81259771

IUPACN-(1-amino-3-methylbutan-2-yl)-3-methoxybenzenesulfonamide
SMILESCOc1cccc(S(=O)(=O)NC(CN)C(C)C)c1
InChIInChI=1S/C12H20N2O3S/c1-9(2)12(8-13)14-18(15,16)11-6-4-5-10(7-11)17-3/h4-7,9,12,14H,8,13H2,1-3H3
InChIKeyUDRPCPNZJKIICA-UHFFFAOYSA-N
MW272.37 g/mol
LogP0.96
Rot. Bonds6

About N-(1-amino-3-methylbutan-2-yl)-3-methoxybenzenesulfonamide

N-(1-amino-3-methylbutan-2-yl)-3-methoxybenzenesulfonamide (PubChem CID 81259771) has the molecular formula C12H20N2O3S and a molecular weight of 272.37 g/mol. Its IUPAC name is N-(1-amino-3-methylbutan-2-yl)-3-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-(1-amino-3-methylbutan-2-yl)-3-methoxybenzenesulfonamide
PubChem CID81259771
Molecular FormulaC12H20N2O3S
Molecular Weight272.37 g/mol
Exact Mass272.12
IUPAC NameN-(1-amino-3-methylbutan-2-yl)-3-methoxybenzenesulfonamide
SMILESCOc1cccc(S(=O)(=O)NC(CN)C(C)C)c1
InChIInChI=1S/C12H20N2O3S/c1-9(2)12(8-13)14-18(15,16)11-6-4-5-10(7-11)17-3/h4-7,9,12,14H,8,13H2,1-3H3
InChIKeyUDRPCPNZJKIICA-UHFFFAOYSA-N
XLogP0.96
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-amino-3-methylbutan-2-yl)-3-chlorobenzenesulfonamide
CID 65192522
N-(3-amino-2-methylpropyl)-3-methoxybenzenesulfonamide
CID 115271577
methyl 2-[(3-methoxyphenyl)sulfonylamino]propanoate
CID 81260226
3-methoxy-N-[4,4,4-trifluoro-1-hydroxy-3-(trifluoromethyl)butan-2-yl]benzenesulfonamide
CID 24765548
3-(aminomethyl)-N-(1-methoxy-3-methylbutan-2-yl)benzenesulfonamide
CID 65047904
(2R)-3-hydroxy-2-[(3-methoxyphenyl)sulfonylamino]propanoic acid
CID 69117008
N-(2-hydroxy-1-phenylethyl)-3-methoxybenzenesulfonamide
CID 81265322
N-[(1S)-2-hydroxy-1-phenylethyl]-3-methoxybenzenesulfonamide
CID 107863541
3-hydroxy-N-(1-methoxy-3-methylbutan-2-yl)benzenesulfonamide
CID 81258377
(2S)-5-amino-2-[(3-methoxyphenyl)sulfonylamino]-5-oxopentanoic acid
CID 81264713
3-methoxy-N-[3-(propan-2-ylamino)propyl]benzenesulfonamide
CID 81259985
3-methoxybenzenesulfonamide
CID 14763060

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-3-methylbutan-2-yl)-3-methoxybenzenesulfonamide?
The IUPAC name of N-(1-amino-3-methylbutan-2-yl)-3-methoxybenzenesulfonamide (CID 81259771) is N-(1-amino-3-methylbutan-2-yl)-3-methoxybenzenesulfonamide.
What is the SMILES notation for N-(1-amino-3-methylbutan-2-yl)-3-methoxybenzenesulfonamide?
The canonical SMILES for N-(1-amino-3-methylbutan-2-yl)-3-methoxybenzenesulfonamide is COc1cccc(S(=O)(=O)NC(CN)C(C)C)c1.
What is the InChIKey of N-(1-amino-3-methylbutan-2-yl)-3-methoxybenzenesulfonamide?
The InChIKey is UDRPCPNZJKIICA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3S/c1-9(2)12(8-13)14-18(15,16)11-6-4-5-10(7-11)17-3/h4-7,9,12,14H,8,13H2,1-3H3.
What are the key properties of N-(1-amino-3-methylbutan-2-yl)-3-methoxybenzenesulfonamide?
N-(1-amino-3-methylbutan-2-yl)-3-methoxybenzenesulfonamide has a molecular weight of 272.37 g/mol, XLogP of 0.96, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-3-methylbutan-2-yl)-3-methoxybenzenesulfonamide is sourced from PubChem (CID 81259771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).