N-ethyl-2-[(3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-yl)amino]ethanesulfonamide

C15H31N3O2S — CID 106334433

IUPACN-ethyl-2-[(3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-yl)amino]ethanesulfonamide
SMILESCCNS(=O)(=O)CCNC1C2CCCC1CN(C(C)C)C2
InChIInChI=1S/C15H31N3O2S/c1-4-17-21(19,20)9-8-16-15-13-6-5-7-14(15)11-18(10-13)12(2)3/h12-17H,4-11H2,1-3H3
InChIKeyWSRHQDGNNOMHEG-UHFFFAOYSA-N
MW317.50 g/mol
LogP1.02
Rot. Bonds7

About N-ethyl-2-[(3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-yl)amino]ethanesulfonamide

N-ethyl-2-[(3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-yl)amino]ethanesulfonamide (PubChem CID 106334433) has the molecular formula C15H31N3O2S and a molecular weight of 317.50 g/mol. Its IUPAC name is N-ethyl-2-[(3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-yl)amino]ethanesulfonamide.

Molecular Properties

Compound NameN-ethyl-2-[(3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-yl)amino]ethanesulfonamide
PubChem CID106334433
Molecular FormulaC15H31N3O2S
Molecular Weight317.50 g/mol
Exact Mass317.21
IUPAC NameN-ethyl-2-[(3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-yl)amino]ethanesulfonamide
SMILESCCNS(=O)(=O)CCNC1C2CCCC1CN(C(C)C)C2
InChIInChI=1S/C15H31N3O2S/c1-4-17-21(19,20)9-8-16-15-13-6-5-7-14(15)11-18(10-13)12(2)3/h12-17H,4-11H2,1-3H3
InChIKeyWSRHQDGNNOMHEG-UHFFFAOYSA-N
XLogP1.02
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.50
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[(3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-yl)amino]ethanesulfonamide?
The IUPAC name of N-ethyl-2-[(3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-yl)amino]ethanesulfonamide (CID 106334433) is N-ethyl-2-[(3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-yl)amino]ethanesulfonamide.
What is the SMILES notation for N-ethyl-2-[(3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-yl)amino]ethanesulfonamide?
The canonical SMILES for N-ethyl-2-[(3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-yl)amino]ethanesulfonamide is CCNS(=O)(=O)CCNC1C2CCCC1CN(C(C)C)C2.
What is the InChIKey of N-ethyl-2-[(3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-yl)amino]ethanesulfonamide?
The InChIKey is WSRHQDGNNOMHEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O2S/c1-4-17-21(19,20)9-8-16-15-13-6-5-7-14(15)11-18(10-13)12(2)3/h12-17H,4-11H2,1-3H3.
What are the key properties of N-ethyl-2-[(3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-yl)amino]ethanesulfonamide?
N-ethyl-2-[(3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-yl)amino]ethanesulfonamide has a molecular weight of 317.50 g/mol, XLogP of 1.02, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[(3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-yl)amino]ethanesulfonamide is sourced from PubChem (CID 106334433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).