N-ethyl-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylsulfonyl)propan-1-amine

C11H22N2O3S — CID 66369759

IUPACN-ethyl-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylsulfonyl)propan-1-amine
SMILESCCNCC(C)S(=O)(=O)N1CC2CCC(C1)O2
InChIInChI=1S/C11H22N2O3S/c1-3-12-6-9(2)17(14,15)13-7-10-4-5-11(8-13)16-10/h9-12H,3-8H2,1-2H3
InChIKeyQIMRFWZKZJZPRW-UHFFFAOYSA-N
MW262.37 g/mol
LogP0.18
Rot. Bonds5

About N-ethyl-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylsulfonyl)propan-1-amine

N-ethyl-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylsulfonyl)propan-1-amine (PubChem CID 66369759) has the molecular formula C11H22N2O3S and a molecular weight of 262.37 g/mol. Its IUPAC name is N-ethyl-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylsulfonyl)propan-1-amine.

Molecular Properties

Compound NameN-ethyl-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylsulfonyl)propan-1-amine
PubChem CID66369759
Molecular FormulaC11H22N2O3S
Molecular Weight262.37 g/mol
Exact Mass262.14
IUPAC NameN-ethyl-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylsulfonyl)propan-1-amine
SMILESCCNCC(C)S(=O)(=O)N1CC2CCC(C1)O2
InChIInChI=1S/C11H22N2O3S/c1-3-12-6-9(2)17(14,15)13-7-10-4-5-11(8-13)16-10/h9-12H,3-8H2,1-2H3
InChIKeyQIMRFWZKZJZPRW-UHFFFAOYSA-N
XLogP0.18
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.37
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylsulfonyl)propan-1-amine?
The IUPAC name of N-ethyl-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylsulfonyl)propan-1-amine (CID 66369759) is N-ethyl-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylsulfonyl)propan-1-amine.
What is the SMILES notation for N-ethyl-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylsulfonyl)propan-1-amine?
The canonical SMILES for N-ethyl-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylsulfonyl)propan-1-amine is CCNCC(C)S(=O)(=O)N1CC2CCC(C1)O2.
What is the InChIKey of N-ethyl-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylsulfonyl)propan-1-amine?
The InChIKey is QIMRFWZKZJZPRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3S/c1-3-12-6-9(2)17(14,15)13-7-10-4-5-11(8-13)16-10/h9-12H,3-8H2,1-2H3.
What are the key properties of N-ethyl-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylsulfonyl)propan-1-amine?
N-ethyl-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylsulfonyl)propan-1-amine has a molecular weight of 262.37 g/mol, XLogP of 0.18, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylsulfonyl)propan-1-amine is sourced from PubChem (CID 66369759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).