[4-ethyl-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylsulfonyl)phenyl]methanamine

C15H22N2O3S — CID 66372288

IUPAC[4-ethyl-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylsulfonyl)phenyl]methanamine
SMILESCCc1ccc(CN)cc1S(=O)(=O)N1CC2CCC(C1)O2
InChIInChI=1S/C15H22N2O3S/c1-2-12-4-3-11(8-16)7-15(12)21(18,19)17-9-13-5-6-14(10-17)20-13/h3-4,7,13-14H,2,5-6,8-10,16H2,1H3
InChIKeyAOJBSXCFXZANBK-UHFFFAOYSA-N
MW310.42 g/mol
LogP1.26
Rot. Bonds4

About [4-ethyl-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylsulfonyl)phenyl]methanamine

[4-ethyl-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylsulfonyl)phenyl]methanamine (PubChem CID 66372288) has the molecular formula C15H22N2O3S and a molecular weight of 310.42 g/mol. Its IUPAC name is [4-ethyl-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylsulfonyl)phenyl]methanamine.

Molecular Properties

Compound Name[4-ethyl-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylsulfonyl)phenyl]methanamine
PubChem CID66372288
Molecular FormulaC15H22N2O3S
Molecular Weight310.42 g/mol
Exact Mass310.14
IUPAC Name[4-ethyl-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylsulfonyl)phenyl]methanamine
SMILESCCc1ccc(CN)cc1S(=O)(=O)N1CC2CCC(C1)O2
InChIInChI=1S/C15H22N2O3S/c1-2-12-4-3-11(8-16)7-15(12)21(18,19)17-9-13-5-6-14(10-17)20-13/h3-4,7,13-14H,2,5-6,8-10,16H2,1H3
InChIKeyAOJBSXCFXZANBK-UHFFFAOYSA-N
XLogP1.26
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-ethyl-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylsulfonyl)phenyl]methanamine?
The IUPAC name of [4-ethyl-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylsulfonyl)phenyl]methanamine (CID 66372288) is [4-ethyl-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylsulfonyl)phenyl]methanamine.
What is the SMILES notation for [4-ethyl-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylsulfonyl)phenyl]methanamine?
The canonical SMILES for [4-ethyl-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylsulfonyl)phenyl]methanamine is CCc1ccc(CN)cc1S(=O)(=O)N1CC2CCC(C1)O2.
What is the InChIKey of [4-ethyl-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylsulfonyl)phenyl]methanamine?
The InChIKey is AOJBSXCFXZANBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3S/c1-2-12-4-3-11(8-16)7-15(12)21(18,19)17-9-13-5-6-14(10-17)20-13/h3-4,7,13-14H,2,5-6,8-10,16H2,1H3.
What are the key properties of [4-ethyl-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylsulfonyl)phenyl]methanamine?
[4-ethyl-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylsulfonyl)phenyl]methanamine has a molecular weight of 310.42 g/mol, XLogP of 1.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-ethyl-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylsulfonyl)phenyl]methanamine is sourced from PubChem (CID 66372288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).