N-(3-amino-2,2-dimethylpropyl)-N-methyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide

C14H22N2O4S — CID 79645778

IUPACN-(3-amino-2,2-dimethylpropyl)-N-methyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
SMILESCN(CC(C)(C)CN)S(=O)(=O)c1ccc2c(c1)OCCO2
InChIInChI=1S/C14H22N2O4S/c1-14(2,9-15)10-16(3)21(17,18)11-4-5-12-13(8-11)20-7-6-19-12/h4-5,8H,6-7,9-10,15H2,1-3H3
InChIKeyMSFASZACLJMTCE-UHFFFAOYSA-N
MW314.41 g/mol
LogP1.06
Rot. Bonds5

About N-(3-amino-2,2-dimethylpropyl)-N-methyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide

N-(3-amino-2,2-dimethylpropyl)-N-methyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide (PubChem CID 79645778) has the molecular formula C14H22N2O4S and a molecular weight of 314.41 g/mol. Its IUPAC name is N-(3-amino-2,2-dimethylpropyl)-N-methyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide.

Molecular Properties

Compound NameN-(3-amino-2,2-dimethylpropyl)-N-methyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
PubChem CID79645778
Molecular FormulaC14H22N2O4S
Molecular Weight314.41 g/mol
Exact Mass314.13
IUPAC NameN-(3-amino-2,2-dimethylpropyl)-N-methyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
SMILESCN(CC(C)(C)CN)S(=O)(=O)c1ccc2c(c1)OCCO2
InChIInChI=1S/C14H22N2O4S/c1-14(2,9-15)10-16(3)21(17,18)11-4-5-12-13(8-11)20-7-6-19-12/h4-5,8H,6-7,9-10,15H2,1-3H3
InChIKeyMSFASZACLJMTCE-UHFFFAOYSA-N
XLogP1.06
TPSA81.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-amino-2,2-dimethylpropyl)-N-methyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide;hydrochloride
CID 119991645
N-(3-amino-2,2-dimethylpropyl)-N-methyl-5,6,7,8-tetrahydronaphthalene-2-sulfonamide;hydrochloride
CID 119991436
N-(2-hydroxypropyl)-N-methyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 55060783
2-[2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl(methyl)amino]acetic acid
CID 2893755
N-(3-amino-2,2-dimethylpropyl)-4-chloro-N-methylbenzenesulfonamide;hydrochloride
CID 119991423
N-benzyl-N-methyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 846883
N-(3-amino-2,2-dimethylpropyl)-3-chloro-N-methylbenzenesulfonamide
CID 79652238
N-(3-amino-2,2-dimethylpropyl)-N,4-dimethyl-3-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 119991472
N,N-diethyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 2866313
N-(3-amino-2,2-dimethylpropyl)-3-iodo-N-methylbenzenesulfonamide;hydrochloride
CID 119991890
N-(3-amino-2,2-dimethylpropyl)-N-methyl-4-phenylbenzenesulfonamide;hydrochloride
CID 119991804
4-[(3-amino-2,2-dimethylpropyl)-methylsulfamoyl]benzamide
CID 79652029

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-dimethylpropyl)-N-methyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?
The IUPAC name of N-(3-amino-2,2-dimethylpropyl)-N-methyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide (CID 79645778) is N-(3-amino-2,2-dimethylpropyl)-N-methyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide.
What is the SMILES notation for N-(3-amino-2,2-dimethylpropyl)-N-methyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?
The canonical SMILES for N-(3-amino-2,2-dimethylpropyl)-N-methyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide is CN(CC(C)(C)CN)S(=O)(=O)c1ccc2c(c1)OCCO2.
What is the InChIKey of N-(3-amino-2,2-dimethylpropyl)-N-methyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?
The InChIKey is MSFASZACLJMTCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4S/c1-14(2,9-15)10-16(3)21(17,18)11-4-5-12-13(8-11)20-7-6-19-12/h4-5,8H,6-7,9-10,15H2,1-3H3.
What are the key properties of N-(3-amino-2,2-dimethylpropyl)-N-methyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?
N-(3-amino-2,2-dimethylpropyl)-N-methyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide has a molecular weight of 314.41 g/mol, XLogP of 1.06, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2-dimethylpropyl)-N-methyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide is sourced from PubChem (CID 79645778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).