N,N-diethyl-2,2-dimethyl-3,4-dihydro-1,4-benzoxazine-6-sulfonamide

C14H22N2O3S — CID 82098791

IUPACN,N-diethyl-2,2-dimethyl-3,4-dihydro-1,4-benzoxazine-6-sulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc2c(c1)NCC(C)(C)O2
InChIInChI=1S/C14H22N2O3S/c1-5-16(6-2)20(17,18)11-7-8-13-12(9-11)15-10-14(3,4)19-13/h7-9,15H,5-6,10H2,1-4H3
InChIKeyLNUFBIOQIWHDPH-UHFFFAOYSA-N
MW298.41 g/mol
LogP2.30
Rot. Bonds4

About N,N-diethyl-2,2-dimethyl-3,4-dihydro-1,4-benzoxazine-6-sulfonamide

N,N-diethyl-2,2-dimethyl-3,4-dihydro-1,4-benzoxazine-6-sulfonamide (PubChem CID 82098791) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is N,N-diethyl-2,2-dimethyl-3,4-dihydro-1,4-benzoxazine-6-sulfonamide.

Molecular Properties

Compound NameN,N-diethyl-2,2-dimethyl-3,4-dihydro-1,4-benzoxazine-6-sulfonamide
PubChem CID82098791
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC NameN,N-diethyl-2,2-dimethyl-3,4-dihydro-1,4-benzoxazine-6-sulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc2c(c1)NCC(C)(C)O2
InChIInChI=1S/C14H22N2O3S/c1-5-16(6-2)20(17,18)11-7-8-13-12(9-11)15-10-14(3,4)19-13/h7-9,15H,5-6,10H2,1-4H3
InChIKeyLNUFBIOQIWHDPH-UHFFFAOYSA-N
XLogP2.30
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2,2-dimethyl-3,4-dihydro-1,4-benzoxazine-6-sulfonamide?
The IUPAC name of N,N-diethyl-2,2-dimethyl-3,4-dihydro-1,4-benzoxazine-6-sulfonamide (CID 82098791) is N,N-diethyl-2,2-dimethyl-3,4-dihydro-1,4-benzoxazine-6-sulfonamide.
What is the SMILES notation for N,N-diethyl-2,2-dimethyl-3,4-dihydro-1,4-benzoxazine-6-sulfonamide?
The canonical SMILES for N,N-diethyl-2,2-dimethyl-3,4-dihydro-1,4-benzoxazine-6-sulfonamide is CCN(CC)S(=O)(=O)c1ccc2c(c1)NCC(C)(C)O2.
What is the InChIKey of N,N-diethyl-2,2-dimethyl-3,4-dihydro-1,4-benzoxazine-6-sulfonamide?
The InChIKey is LNUFBIOQIWHDPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-5-16(6-2)20(17,18)11-7-8-13-12(9-11)15-10-14(3,4)19-13/h7-9,15H,5-6,10H2,1-4H3.
What are the key properties of N,N-diethyl-2,2-dimethyl-3,4-dihydro-1,4-benzoxazine-6-sulfonamide?
N,N-diethyl-2,2-dimethyl-3,4-dihydro-1,4-benzoxazine-6-sulfonamide has a molecular weight of 298.41 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2,2-dimethyl-3,4-dihydro-1,4-benzoxazine-6-sulfonamide is sourced from PubChem (CID 82098791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).