N-[3-(dimethylamino)propyl]-1-ethyl-2,4-dioxo-3,1-benzoxazine-6-sulfonamide

C15H21N3O5S — CID 110677089

IUPACN-[3-(dimethylamino)propyl]-1-ethyl-2,4-dioxo-3,1-benzoxazine-6-sulfonamide
SMILESCCn1c(=O)oc(=O)c2cc(S(=O)(=O)NCCCN(C)C)ccc21
InChIInChI=1S/C15H21N3O5S/c1-4-18-13-7-6-11(10-12(13)14(19)23-15(18)20)24(21,22)16-8-5-9-17(2)3/h6-7,10,16H,4-5,8-9H2,1-3H3
InChIKeyUYKBPZZVWZQCSX-UHFFFAOYSA-N
MW355.42 g/mol
LogP0.20
Rot. Bonds7

About N-[3-(dimethylamino)propyl]-1-ethyl-2,4-dioxo-3,1-benzoxazine-6-sulfonamide

N-[3-(dimethylamino)propyl]-1-ethyl-2,4-dioxo-3,1-benzoxazine-6-sulfonamide (PubChem CID 110677089) has the molecular formula C15H21N3O5S and a molecular weight of 355.42 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-1-ethyl-2,4-dioxo-3,1-benzoxazine-6-sulfonamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-1-ethyl-2,4-dioxo-3,1-benzoxazine-6-sulfonamide
PubChem CID110677089
Molecular FormulaC15H21N3O5S
Molecular Weight355.42 g/mol
Exact Mass355.12
IUPAC NameN-[3-(dimethylamino)propyl]-1-ethyl-2,4-dioxo-3,1-benzoxazine-6-sulfonamide
SMILESCCn1c(=O)oc(=O)c2cc(S(=O)(=O)NCCCN(C)C)ccc21
InChIInChI=1S/C15H21N3O5S/c1-4-18-13-7-6-11(10-12(13)14(19)23-15(18)20)24(21,22)16-8-5-9-17(2)3/h6-7,10,16H,4-5,8-9H2,1-3H3
InChIKeyUYKBPZZVWZQCSX-UHFFFAOYSA-N
XLogP0.20
TPSA101.62 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.42
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-ethyl-N-methyl-2,4-dioxo-N-phenyl-3,1-benzoxazine-6-sulfonamide
CID 110677114
N-(2,4-dimethylphenyl)-1-ethyl-2,4-dioxo-3,1-benzoxazine-6-sulfonamide
CID 110677116
3-ethyl-N-(3-methoxypropyl)-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 71683958
N-benzyl-1-ethyl-N-methyl-2,4-dioxo-3,1-benzoxazine-6-sulfonamide
CID 110677099
N-[3-(dimethylamino)propyl]-2-oxo-3-propyl-1,3-benzothiazole-6-sulfonamide
CID 100736577
6-(azepan-1-ylsulfonyl)-1-ethyl-3,1-benzoxazine-2,4-dione
CID 110677110
N-[3-(dipropylamino)propyl]-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 3242629
N,1,3-triethyl-2,4-dioxoquinazoline-6-sulfonamide
CID 4093912
N-[3-(dimethylamino)propyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 5176418
3-ethyl-N-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 92648195
N-butyl-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 20859011
N-[3-(dimethylamino)propyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide
CID 8716732

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-1-ethyl-2,4-dioxo-3,1-benzoxazine-6-sulfonamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-1-ethyl-2,4-dioxo-3,1-benzoxazine-6-sulfonamide (CID 110677089) is N-[3-(dimethylamino)propyl]-1-ethyl-2,4-dioxo-3,1-benzoxazine-6-sulfonamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-1-ethyl-2,4-dioxo-3,1-benzoxazine-6-sulfonamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-1-ethyl-2,4-dioxo-3,1-benzoxazine-6-sulfonamide is CCn1c(=O)oc(=O)c2cc(S(=O)(=O)NCCCN(C)C)ccc21.
What is the InChIKey of N-[3-(dimethylamino)propyl]-1-ethyl-2,4-dioxo-3,1-benzoxazine-6-sulfonamide?
The InChIKey is UYKBPZZVWZQCSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O5S/c1-4-18-13-7-6-11(10-12(13)14(19)23-15(18)20)24(21,22)16-8-5-9-17(2)3/h6-7,10,16H,4-5,8-9H2,1-3H3.
What are the key properties of N-[3-(dimethylamino)propyl]-1-ethyl-2,4-dioxo-3,1-benzoxazine-6-sulfonamide?
N-[3-(dimethylamino)propyl]-1-ethyl-2,4-dioxo-3,1-benzoxazine-6-sulfonamide has a molecular weight of 355.42 g/mol, XLogP of 0.20, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-1-ethyl-2,4-dioxo-3,1-benzoxazine-6-sulfonamide is sourced from PubChem (CID 110677089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).