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

C13H20N2O3S — CID 82355251

IUPACN,2-dimethyl-4-propyl-2,3-dihydro-1,4-benzoxazine-6-sulfonamide
SMILESCCCN1CC(C)Oc2ccc(S(=O)(=O)NC)cc21
InChIInChI=1S/C13H20N2O3S/c1-4-7-15-9-10(2)18-13-6-5-11(8-12(13)15)19(16,17)14-3/h5-6,8,10,14H,4,7,9H2,1-3H3
InChIKeyVBJVXVAKQSLBBD-UHFFFAOYSA-N
MW284.38 g/mol
LogP1.59
Rot. Bonds4

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

N,2-dimethyl-4-propyl-2,3-dihydro-1,4-benzoxazine-6-sulfonamide (PubChem CID 82355251) has the molecular formula C13H20N2O3S and a molecular weight of 284.38 g/mol. Its IUPAC name is N,2-dimethyl-4-propyl-2,3-dihydro-1,4-benzoxazine-6-sulfonamide.

Molecular Properties

Compound NameN,2-dimethyl-4-propyl-2,3-dihydro-1,4-benzoxazine-6-sulfonamide
PubChem CID82355251
Molecular FormulaC13H20N2O3S
Molecular Weight284.38 g/mol
Exact Mass284.12
IUPAC NameN,2-dimethyl-4-propyl-2,3-dihydro-1,4-benzoxazine-6-sulfonamide
SMILESCCCN1CC(C)Oc2ccc(S(=O)(=O)NC)cc21
InChIInChI=1S/C13H20N2O3S/c1-4-7-15-9-10(2)18-13-6-5-11(8-12(13)15)19(16,17)14-3/h5-6,8,10,14H,4,7,9H2,1-3H3
InChIKeyVBJVXVAKQSLBBD-UHFFFAOYSA-N
XLogP1.59
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-ethyl-N,2-dimethyl-2,3-dihydro-1,4-benzoxazine-6-sulfonamide
CID 82355252
2-[(2-methyl-4-propyl-2,3-dihydro-1,4-benzoxazin-6-yl)sulfonylamino]acetic acid
CID 82354970
1-(2-methyl-4-propyl-2,3-dihydro-1,4-benzoxazin-6-yl)ethanol
CID 82354946
2-amino-1-(2-methyl-4-propyl-2,3-dihydro-1,4-benzoxazin-6-yl)propan-1-one
CID 82340219
6-chloro-2-methyl-4-(3-methylsulfonylpropyl)-2,3-dihydro-1,4-benzoxazine
CID 71988639
4-(2-methyl-4-propyl-2,3-dihydro-1,4-benzoxazin-6-yl)-1,3-thiazol-2-amine
CID 82025258
2-(6-ethyl-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)ethanamine
CID 82142287
N,2-diethyl-4-methyl-2,3-dihydro-1,4-benzoxazine-6-sulfonamide
CID 82355198
2-methyl-6-(piperidin-3-ylmethyl)-4-propyl-2,3-dihydro-1,4-benzoxazine
CID 82340228
2-(6-acetyl-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-N-propylacetamide
CID 82025514
3-[2-[(2R)-2,6-dimethyl-2,3-dihydro-1,4-benzoxazin-4-yl]ethyl]imidazolidine-2,4-dione
CID 124727509
3-amino-N-methyl-4-(4-propylpiperazin-1-yl)benzenesulfonamide
CID 43449093

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-4-propyl-2,3-dihydro-1,4-benzoxazine-6-sulfonamide?
The IUPAC name of N,2-dimethyl-4-propyl-2,3-dihydro-1,4-benzoxazine-6-sulfonamide (CID 82355251) is N,2-dimethyl-4-propyl-2,3-dihydro-1,4-benzoxazine-6-sulfonamide.
What is the SMILES notation for N,2-dimethyl-4-propyl-2,3-dihydro-1,4-benzoxazine-6-sulfonamide?
The canonical SMILES for N,2-dimethyl-4-propyl-2,3-dihydro-1,4-benzoxazine-6-sulfonamide is CCCN1CC(C)Oc2ccc(S(=O)(=O)NC)cc21.
What is the InChIKey of N,2-dimethyl-4-propyl-2,3-dihydro-1,4-benzoxazine-6-sulfonamide?
The InChIKey is VBJVXVAKQSLBBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3S/c1-4-7-15-9-10(2)18-13-6-5-11(8-12(13)15)19(16,17)14-3/h5-6,8,10,14H,4,7,9H2,1-3H3.
What are the key properties of N,2-dimethyl-4-propyl-2,3-dihydro-1,4-benzoxazine-6-sulfonamide?
N,2-dimethyl-4-propyl-2,3-dihydro-1,4-benzoxazine-6-sulfonamide has a molecular weight of 284.38 g/mol, XLogP of 1.59, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-4-propyl-2,3-dihydro-1,4-benzoxazine-6-sulfonamide is sourced from PubChem (CID 82355251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).