1-(3-cyclopropylphenyl)sulfonyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-7-amine

C16H17N3O3S — CID 163572788

IUPAC1-(3-cyclopropylphenyl)sulfonyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-7-amine
SMILESNc1cnc2c(c1)N(S(=O)(=O)c1cccc(C3CC3)c1)CCO2
InChIInChI=1S/C16H17N3O3S/c17-13-9-15-16(18-10-13)22-7-6-19(15)23(20,21)14-3-1-2-12(8-14)11-4-5-11/h1-3,8-11H,4-7,17H2
InChIKeyGAVBCHRSHWJFJJ-UHFFFAOYSA-N
MW331.40 g/mol
LogP2.13
Rot. Bonds3

About 1-(3-cyclopropylphenyl)sulfonyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-7-amine

1-(3-cyclopropylphenyl)sulfonyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-7-amine (PubChem CID 163572788) has the molecular formula C16H17N3O3S and a molecular weight of 331.40 g/mol. Its IUPAC name is 1-(3-cyclopropylphenyl)sulfonyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-7-amine.

Molecular Properties

Compound Name1-(3-cyclopropylphenyl)sulfonyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-7-amine
PubChem CID163572788
Molecular FormulaC16H17N3O3S
Molecular Weight331.40 g/mol
Exact Mass331.10
IUPAC Name1-(3-cyclopropylphenyl)sulfonyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-7-amine
SMILESNc1cnc2c(c1)N(S(=O)(=O)c1cccc(C3CC3)c1)CCO2
InChIInChI=1S/C16H17N3O3S/c17-13-9-15-16(18-10-13)22-7-6-19(15)23(20,21)14-3-1-2-12(8-14)11-4-5-11/h1-3,8-11H,4-7,17H2
InChIKeyGAVBCHRSHWJFJJ-UHFFFAOYSA-N
XLogP2.13
TPSA85.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.40
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclopropylphenyl)sulfonyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-7-amine?
The IUPAC name of 1-(3-cyclopropylphenyl)sulfonyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-7-amine (CID 163572788) is 1-(3-cyclopropylphenyl)sulfonyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-7-amine.
What is the SMILES notation for 1-(3-cyclopropylphenyl)sulfonyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-7-amine?
The canonical SMILES for 1-(3-cyclopropylphenyl)sulfonyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-7-amine is Nc1cnc2c(c1)N(S(=O)(=O)c1cccc(C3CC3)c1)CCO2.
What is the InChIKey of 1-(3-cyclopropylphenyl)sulfonyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-7-amine?
The InChIKey is GAVBCHRSHWJFJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O3S/c17-13-9-15-16(18-10-13)22-7-6-19(15)23(20,21)14-3-1-2-12(8-14)11-4-5-11/h1-3,8-11H,4-7,17H2.
What are the key properties of 1-(3-cyclopropylphenyl)sulfonyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-7-amine?
1-(3-cyclopropylphenyl)sulfonyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-7-amine has a molecular weight of 331.40 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclopropylphenyl)sulfonyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-7-amine is sourced from PubChem (CID 163572788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).