N-(8-azabicyclo[3.2.1]octan-3-yl)-N-propylmorpholine-4-sulfonamide

C14H27N3O3S — CID 61231913

IUPACN-(8-azabicyclo[3.2.1]octan-3-yl)-N-propylmorpholine-4-sulfonamide
SMILESCCCN(C1CC2CCC(C1)N2)S(=O)(=O)N1CCOCC1
InChIInChI=1S/C14H27N3O3S/c1-2-5-17(14-10-12-3-4-13(11-14)15-12)21(18,19)16-6-8-20-9-7-16/h12-15H,2-11H2,1H3
InChIKeyYIIWXWXVDFIAPX-UHFFFAOYSA-N
MW317.46 g/mol
LogP0.56
Rot. Bonds5

About N-(8-azabicyclo[3.2.1]octan-3-yl)-N-propylmorpholine-4-sulfonamide

N-(8-azabicyclo[3.2.1]octan-3-yl)-N-propylmorpholine-4-sulfonamide (PubChem CID 61231913) has the molecular formula C14H27N3O3S and a molecular weight of 317.46 g/mol. Its IUPAC name is N-(8-azabicyclo[3.2.1]octan-3-yl)-N-propylmorpholine-4-sulfonamide.

Molecular Properties

Compound NameN-(8-azabicyclo[3.2.1]octan-3-yl)-N-propylmorpholine-4-sulfonamide
PubChem CID61231913
Molecular FormulaC14H27N3O3S
Molecular Weight317.46 g/mol
Exact Mass317.18
IUPAC NameN-(8-azabicyclo[3.2.1]octan-3-yl)-N-propylmorpholine-4-sulfonamide
SMILESCCCN(C1CC2CCC(C1)N2)S(=O)(=O)N1CCOCC1
InChIInChI=1S/C14H27N3O3S/c1-2-5-17(14-10-12-3-4-13(11-14)15-12)21(18,19)16-6-8-20-9-7-16/h12-15H,2-11H2,1H3
InChIKeyYIIWXWXVDFIAPX-UHFFFAOYSA-N
XLogP0.56
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.46
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(8-azabicyclo[3.2.1]octan-3-yl)-N-propylmorpholine-4-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-N-propylmorpholine-4-sulfonamide?
The IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-N-propylmorpholine-4-sulfonamide (CID 61231913) is N-(8-azabicyclo[3.2.1]octan-3-yl)-N-propylmorpholine-4-sulfonamide.
What is the SMILES notation for N-(8-azabicyclo[3.2.1]octan-3-yl)-N-propylmorpholine-4-sulfonamide?
The canonical SMILES for N-(8-azabicyclo[3.2.1]octan-3-yl)-N-propylmorpholine-4-sulfonamide is CCCN(C1CC2CCC(C1)N2)S(=O)(=O)N1CCOCC1.
What is the InChIKey of N-(8-azabicyclo[3.2.1]octan-3-yl)-N-propylmorpholine-4-sulfonamide?
The InChIKey is YIIWXWXVDFIAPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O3S/c1-2-5-17(14-10-12-3-4-13(11-14)15-12)21(18,19)16-6-8-20-9-7-16/h12-15H,2-11H2,1H3.
What are the key properties of N-(8-azabicyclo[3.2.1]octan-3-yl)-N-propylmorpholine-4-sulfonamide?
N-(8-azabicyclo[3.2.1]octan-3-yl)-N-propylmorpholine-4-sulfonamide has a molecular weight of 317.46 g/mol, XLogP of 0.56, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-azabicyclo[3.2.1]octan-3-yl)-N-propylmorpholine-4-sulfonamide is sourced from PubChem (CID 61231913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).