2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-ylsulfonyl)-N-ethylpyridin-3-amine

C14H21N3O3S — CID 103305199

IUPAC2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-ylsulfonyl)-N-ethylpyridin-3-amine
SMILESCCNc1cccnc1S(=O)(=O)N1CCOC2CCCC21
InChIInChI=1S/C14H21N3O3S/c1-2-15-11-5-4-8-16-14(11)21(18,19)17-9-10-20-13-7-3-6-12(13)17/h4-5,8,12-13,15H,2-3,6-7,9-10H2,1H3
InChIKeyAOYPHXAORBDBDQ-UHFFFAOYSA-N
MW311.41 g/mol
LogP1.46
Rot. Bonds4

About 2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-ylsulfonyl)-N-ethylpyridin-3-amine

2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-ylsulfonyl)-N-ethylpyridin-3-amine (PubChem CID 103305199) has the molecular formula C14H21N3O3S and a molecular weight of 311.41 g/mol. Its IUPAC name is 2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-ylsulfonyl)-N-ethylpyridin-3-amine.

Molecular Properties

Compound Name2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-ylsulfonyl)-N-ethylpyridin-3-amine
PubChem CID103305199
Molecular FormulaC14H21N3O3S
Molecular Weight311.41 g/mol
Exact Mass311.13
IUPAC Name2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-ylsulfonyl)-N-ethylpyridin-3-amine
SMILESCCNc1cccnc1S(=O)(=O)N1CCOC2CCCC21
InChIInChI=1S/C14H21N3O3S/c1-2-15-11-5-4-8-16-14(11)21(18,19)17-9-10-20-13-7-3-6-12(13)17/h4-5,8,12-13,15H,2-3,6-7,9-10H2,1H3
InChIKeyAOYPHXAORBDBDQ-UHFFFAOYSA-N
XLogP1.46
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-ylsulfonyl)-N-ethylpyridin-3-amine?
The IUPAC name of 2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-ylsulfonyl)-N-ethylpyridin-3-amine (CID 103305199) is 2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-ylsulfonyl)-N-ethylpyridin-3-amine.
What is the SMILES notation for 2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-ylsulfonyl)-N-ethylpyridin-3-amine?
The canonical SMILES for 2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-ylsulfonyl)-N-ethylpyridin-3-amine is CCNc1cccnc1S(=O)(=O)N1CCOC2CCCC21.
What is the InChIKey of 2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-ylsulfonyl)-N-ethylpyridin-3-amine?
The InChIKey is AOYPHXAORBDBDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3S/c1-2-15-11-5-4-8-16-14(11)21(18,19)17-9-10-20-13-7-3-6-12(13)17/h4-5,8,12-13,15H,2-3,6-7,9-10H2,1H3.
What are the key properties of 2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-ylsulfonyl)-N-ethylpyridin-3-amine?
2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-ylsulfonyl)-N-ethylpyridin-3-amine has a molecular weight of 311.41 g/mol, XLogP of 1.46, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-ylsulfonyl)-N-ethylpyridin-3-amine is sourced from PubChem (CID 103305199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).