N-(1-amino-2-methylbutan-2-yl)-4-methoxybenzenesulfonamide

C12H20N2O3S — CID 61133016

IUPACN-(1-amino-2-methylbutan-2-yl)-4-methoxybenzenesulfonamide
SMILESCCC(C)(CN)NS(=O)(=O)c1ccc(OC)cc1
InChIInChI=1S/C12H20N2O3S/c1-4-12(2,9-13)14-18(15,16)11-7-5-10(17-3)6-8-11/h5-8,14H,4,9,13H2,1-3H3
InChIKeyUSNZVFANXWZKFI-UHFFFAOYSA-N
MW272.37 g/mol
LogP1.10
Rot. Bonds6

About N-(1-amino-2-methylbutan-2-yl)-4-methoxybenzenesulfonamide

N-(1-amino-2-methylbutan-2-yl)-4-methoxybenzenesulfonamide (PubChem CID 61133016) has the molecular formula C12H20N2O3S and a molecular weight of 272.37 g/mol. Its IUPAC name is N-(1-amino-2-methylbutan-2-yl)-4-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-(1-amino-2-methylbutan-2-yl)-4-methoxybenzenesulfonamide
PubChem CID61133016
Molecular FormulaC12H20N2O3S
Molecular Weight272.37 g/mol
Exact Mass272.12
IUPAC NameN-(1-amino-2-methylbutan-2-yl)-4-methoxybenzenesulfonamide
SMILESCCC(C)(CN)NS(=O)(=O)c1ccc(OC)cc1
InChIInChI=1S/C12H20N2O3S/c1-4-12(2,9-13)14-18(15,16)11-7-5-10(17-3)6-8-11/h5-8,14H,4,9,13H2,1-3H3
InChIKeyUSNZVFANXWZKFI-UHFFFAOYSA-N
XLogP1.10
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 ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-bromo-2-methylbutan-2-yl)-4-methoxybenzenesulfonamide
CID 114293806
N-(1-amino-2,4-dimethylpentan-2-yl)-4-methoxybenzenesulfonamide
CID 115309909
N-(1-amino-2-methylpropan-2-yl)-4-(4-methoxyphenoxy)benzenesulfonamide;hydrochloride
CID 119975574
N-[1-bromo-2-(bromomethyl)butan-2-yl]-4-methoxybenzenesulfonamide
CID 107868301
6-methoxy-N-(2-methylbutan-2-yl)naphthalene-2-sulfonamide
CID 100505966
N-(2-amino-2-methylpropyl)-4-methoxybenzenesulfonamide
CID 115303620
2-(4-methoxyphenyl)sulfonyl-2-methylpropan-1-amine
CID 115045053
N-(1-amino-2-methylpropan-2-yl)-4-ethoxybenzenesulfonamide;hydrochloride
CID 119975728
4-(methylamino)-N-(3-methylpentan-3-yl)benzenesulfonamide
CID 106330291
4-(1-aminoethyl)-N-(3-methylpentan-3-yl)benzenesulfonamide
CID 106330066
N-[3-(aminomethyl)pentan-3-yl]-4-ethoxybenzenesulfonamide;hydrochloride
CID 119981453
N-[3-(aminomethyl)pentan-3-yl]-4-(2-methoxyethoxy)benzenesulfonamide;hydrochloride
CID 119981229

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-methylbutan-2-yl)-4-methoxybenzenesulfonamide?
The IUPAC name of N-(1-amino-2-methylbutan-2-yl)-4-methoxybenzenesulfonamide (CID 61133016) is N-(1-amino-2-methylbutan-2-yl)-4-methoxybenzenesulfonamide.
What is the SMILES notation for N-(1-amino-2-methylbutan-2-yl)-4-methoxybenzenesulfonamide?
The canonical SMILES for N-(1-amino-2-methylbutan-2-yl)-4-methoxybenzenesulfonamide is CCC(C)(CN)NS(=O)(=O)c1ccc(OC)cc1.
What is the InChIKey of N-(1-amino-2-methylbutan-2-yl)-4-methoxybenzenesulfonamide?
The InChIKey is USNZVFANXWZKFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3S/c1-4-12(2,9-13)14-18(15,16)11-7-5-10(17-3)6-8-11/h5-8,14H,4,9,13H2,1-3H3.
What are the key properties of N-(1-amino-2-methylbutan-2-yl)-4-methoxybenzenesulfonamide?
N-(1-amino-2-methylbutan-2-yl)-4-methoxybenzenesulfonamide has a molecular weight of 272.37 g/mol, XLogP of 1.10, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-methylbutan-2-yl)-4-methoxybenzenesulfonamide is sourced from PubChem (CID 61133016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).