N-(3-amino-2,2-dimethylpropyl)-N,3-dimethyl-2-oxo-1,3-benzoxazole-6-sulfonamide;hydrochloride

C14H22ClN3O4S — CID 119991453

IUPACN-(3-amino-2,2-dimethylpropyl)-N,3-dimethyl-2-oxo-1,3-benzoxazole-6-sulfonamide;hydrochloride
SMILESCN(CC(C)(C)CN)S(=O)(=O)c1ccc2c(c1)oc(=O)n2C.Cl
InChIInChI=1S/C14H21N3O4S.ClH/c1-14(2,8-15)9-16(3)22(19,20)10-5-6-11-12(7-10)21-13(18)17(11)4;/h5-7H,8-9,15H2,1-4H3;1H
InChIKeyPYBNEEDJCUATBX-UHFFFAOYSA-N
MW363.87 g/mol
LogP1.16
Rot. Bonds5

About N-(3-amino-2,2-dimethylpropyl)-N,3-dimethyl-2-oxo-1,3-benzoxazole-6-sulfonamide;hydrochloride

N-(3-amino-2,2-dimethylpropyl)-N,3-dimethyl-2-oxo-1,3-benzoxazole-6-sulfonamide;hydrochloride (PubChem CID 119991453) has the molecular formula C14H22ClN3O4S and a molecular weight of 363.87 g/mol. Its IUPAC name is N-(3-amino-2,2-dimethylpropyl)-N,3-dimethyl-2-oxo-1,3-benzoxazole-6-sulfonamide;hydrochloride.

Molecular Properties

Compound NameN-(3-amino-2,2-dimethylpropyl)-N,3-dimethyl-2-oxo-1,3-benzoxazole-6-sulfonamide;hydrochloride
PubChem CID119991453
Molecular FormulaC14H22ClN3O4S
Molecular Weight363.87 g/mol
Exact Mass363.10
IUPAC NameN-(3-amino-2,2-dimethylpropyl)-N,3-dimethyl-2-oxo-1,3-benzoxazole-6-sulfonamide;hydrochloride
SMILESCN(CC(C)(C)CN)S(=O)(=O)c1ccc2c(c1)oc(=O)n2C.Cl
InChIInChI=1S/C14H21N3O4S.ClH/c1-14(2,8-15)9-16(3)22(19,20)10-5-6-11-12(7-10)21-13(18)17(11)4;/h5-7H,8-9,15H2,1-4H3;1H
InChIKeyPYBNEEDJCUATBX-UHFFFAOYSA-N
XLogP1.16
TPSA98.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.87
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(3-amino-2,2-dimethylpropyl)-N,3-dimethyl-2-oxo-1,3-benzoxazole-6-sulfonamide;hydrochloride with MolForge

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Related Compounds

N-[(4-methoxyphenyl)methyl]-N,3-dimethyl-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 31534187
N,3-dimethyl-2-oxo-N-(1,3-thiazol-2-ylmethyl)-1,3-benzoxazole-6-sulfonamide
CID 110715789
N-(3-amino-2,2-dimethylpropyl)-N-methyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 79645778
N-(3-amino-2,2-dimethylpropyl)-4-chloro-N-methylbenzenesulfonamide;hydrochloride
CID 119991423
5-[(3-amino-2,2-dimethylpropyl)-methylamino]-3-methyl-1,3-benzoxazol-2-one
CID 115199956
N-(3-amino-2,2-dimethylpropyl)-N-methyl-5,6,7,8-tetrahydronaphthalene-2-sulfonamide;hydrochloride
CID 119991436
N-(3-amino-2,2-dimethylpropyl)-N,4-dimethyl-3-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 119991472
N-(3-amino-2,2-dimethylpropyl)-3-iodo-N-methylbenzenesulfonamide;hydrochloride
CID 119991890
N-(3-amino-2,2-dimethylpropyl)-3-ethylsulfonyl-N-methylbenzenesulfonamide;hydrochloride
CID 119991572
N-(3-amino-2,2-dimethylpropyl)-N-methyl-4-phenylbenzenesulfonamide;hydrochloride
CID 119991804
N-(3-amino-2,2-dimethylpropyl)-N,3-dimethyl-4-nitrobenzenesulfonamide;hydrochloride
CID 119991822
N-(3-amino-2,2-dimethylpropyl)-N-methyl-4-(methylsulfonylmethyl)benzenesulfonamide;hydrochloride
CID 119991826

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-dimethylpropyl)-N,3-dimethyl-2-oxo-1,3-benzoxazole-6-sulfonamide;hydrochloride?
The IUPAC name of N-(3-amino-2,2-dimethylpropyl)-N,3-dimethyl-2-oxo-1,3-benzoxazole-6-sulfonamide;hydrochloride (CID 119991453) is N-(3-amino-2,2-dimethylpropyl)-N,3-dimethyl-2-oxo-1,3-benzoxazole-6-sulfonamide;hydrochloride.
What is the SMILES notation for N-(3-amino-2,2-dimethylpropyl)-N,3-dimethyl-2-oxo-1,3-benzoxazole-6-sulfonamide;hydrochloride?
The canonical SMILES for N-(3-amino-2,2-dimethylpropyl)-N,3-dimethyl-2-oxo-1,3-benzoxazole-6-sulfonamide;hydrochloride is CN(CC(C)(C)CN)S(=O)(=O)c1ccc2c(c1)oc(=O)n2C.Cl.
What is the InChIKey of N-(3-amino-2,2-dimethylpropyl)-N,3-dimethyl-2-oxo-1,3-benzoxazole-6-sulfonamide;hydrochloride?
The InChIKey is PYBNEEDJCUATBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O4S.ClH/c1-14(2,8-15)9-16(3)22(19,20)10-5-6-11-12(7-10)21-13(18)17(11)4;/h5-7H,8-9,15H2,1-4H3;1H.
What are the key properties of N-(3-amino-2,2-dimethylpropyl)-N,3-dimethyl-2-oxo-1,3-benzoxazole-6-sulfonamide;hydrochloride?
N-(3-amino-2,2-dimethylpropyl)-N,3-dimethyl-2-oxo-1,3-benzoxazole-6-sulfonamide;hydrochloride has a molecular weight of 363.87 g/mol, XLogP of 1.16, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2-dimethylpropyl)-N,3-dimethyl-2-oxo-1,3-benzoxazole-6-sulfonamide;hydrochloride is sourced from PubChem (CID 119991453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).