N-(2-amino-2-methylpropyl)-3-(methoxymethyl)benzenesulfonamide

C12H20N2O3S — CID 99819230

IUPACN-(2-amino-2-methylpropyl)-3-(methoxymethyl)benzenesulfonamide
SMILESCOCc1cccc(S(=O)(=O)NCC(C)(C)N)c1
InChIInChI=1S/C12H20N2O3S/c1-12(2,13)9-14-18(15,16)11-6-4-5-10(7-11)8-17-3/h4-7,14H,8-9,13H2,1-3H3
InChIKeyLTRSEHYJBSXMAQ-UHFFFAOYSA-N
MW272.37 g/mol
LogP0.85
Rot. Bonds6

About N-(2-amino-2-methylpropyl)-3-(methoxymethyl)benzenesulfonamide

N-(2-amino-2-methylpropyl)-3-(methoxymethyl)benzenesulfonamide (PubChem CID 99819230) has the molecular formula C12H20N2O3S and a molecular weight of 272.37 g/mol. Its IUPAC name is N-(2-amino-2-methylpropyl)-3-(methoxymethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(2-amino-2-methylpropyl)-3-(methoxymethyl)benzenesulfonamide
PubChem CID99819230
Molecular FormulaC12H20N2O3S
Molecular Weight272.37 g/mol
Exact Mass272.12
IUPAC NameN-(2-amino-2-methylpropyl)-3-(methoxymethyl)benzenesulfonamide
SMILESCOCc1cccc(S(=O)(=O)NCC(C)(C)N)c1
InChIInChI=1S/C12H20N2O3S/c1-12(2,13)9-14-18(15,16)11-6-4-5-10(7-11)8-17-3/h4-7,14H,8-9,13H2,1-3H3
InChIKeyLTRSEHYJBSXMAQ-UHFFFAOYSA-N
XLogP0.85
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 ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-aminobutyl)-3-(methoxymethyl)benzenesulfonamide;hydrochloride
CID 119972673
N-(2-amino-2-ethylbutyl)-3-ethylbenzenesulfonamide
CID 119990108
N-(2-amino-2-methylpropyl)-3-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 119988015
3-(methoxymethyl)-N-[3-(methylamino)propyl]benzenesulfonamide;hydrochloride
CID 119964995
methyl (2S)-2-[[3-(methoxymethyl)phenyl]sulfonylamino]-3,3-dimethylbutanoate
CID 95772804
N-(2-amino-2-methylpropyl)benzenesulfonamide;hydrochloride
CID 90081725
N-[2-(2-methoxyethylamino)ethyl]-3-(methoxymethyl)benzenesulfonamide;hydrochloride
CID 120717658
3-(aminomethyl)-N-(2,2-dimethylbutyl)benzenesulfonamide
CID 103461066
1-[3-(methoxymethyl)phenyl]-2-methylpropan-2-amine
CID 117284060
3-(aminomethyl)-N-(2-methoxyethyl)benzenesulfonamide
CID 16786055
N-(2-amino-2-methylpropyl)-4-methoxybenzenesulfonamide
CID 115303620
3-(methoxymethyl)-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)benzenesulfonamide
CID 120721516

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-methylpropyl)-3-(methoxymethyl)benzenesulfonamide?
The IUPAC name of N-(2-amino-2-methylpropyl)-3-(methoxymethyl)benzenesulfonamide (CID 99819230) is N-(2-amino-2-methylpropyl)-3-(methoxymethyl)benzenesulfonamide.
What is the SMILES notation for N-(2-amino-2-methylpropyl)-3-(methoxymethyl)benzenesulfonamide?
The canonical SMILES for N-(2-amino-2-methylpropyl)-3-(methoxymethyl)benzenesulfonamide is COCc1cccc(S(=O)(=O)NCC(C)(C)N)c1.
What is the InChIKey of N-(2-amino-2-methylpropyl)-3-(methoxymethyl)benzenesulfonamide?
The InChIKey is LTRSEHYJBSXMAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3S/c1-12(2,13)9-14-18(15,16)11-6-4-5-10(7-11)8-17-3/h4-7,14H,8-9,13H2,1-3H3.
What are the key properties of N-(2-amino-2-methylpropyl)-3-(methoxymethyl)benzenesulfonamide?
N-(2-amino-2-methylpropyl)-3-(methoxymethyl)benzenesulfonamide has a molecular weight of 272.37 g/mol, XLogP of 0.85, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-methylpropyl)-3-(methoxymethyl)benzenesulfonamide is sourced from PubChem (CID 99819230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).