2-[[(1R,5S)-3-azabicyclo[3.1.0]hexan-3-yl]sulfonyl]-N,N-dimethylethanamine

C9H18N2O2S — CID 91591648

IUPAC2-[[(1R,5S)-3-azabicyclo[3.1.0]hexan-3-yl]sulfonyl]-N,N-dimethylethanamine
SMILESCN(C)CCS(=O)(=O)N1C[C@H]2C[C@H]2C1
InChIInChI=1S/C9H18N2O2S/c1-10(2)3-4-14(12,13)11-6-8-5-9(8)7-11/h8-9H,3-7H2,1-2H3/t8-,9+
InChIKeyFLOWGQJZVIRCHJ-DTORHVGOSA-N
MW218.32 g/mol
LogP-0.17
Rot. Bonds4

About 2-[[(1R,5S)-3-azabicyclo[3.1.0]hexan-3-yl]sulfonyl]-N,N-dimethylethanamine

2-[[(1R,5S)-3-azabicyclo[3.1.0]hexan-3-yl]sulfonyl]-N,N-dimethylethanamine (PubChem CID 91591648) has the molecular formula C9H18N2O2S and a molecular weight of 218.32 g/mol. Its IUPAC name is 2-[[(1R,5S)-3-azabicyclo[3.1.0]hexan-3-yl]sulfonyl]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[[(1R,5S)-3-azabicyclo[3.1.0]hexan-3-yl]sulfonyl]-N,N-dimethylethanamine
PubChem CID91591648
Molecular FormulaC9H18N2O2S
Molecular Weight218.32 g/mol
Exact Mass218.11
IUPAC Name2-[[(1R,5S)-3-azabicyclo[3.1.0]hexan-3-yl]sulfonyl]-N,N-dimethylethanamine
SMILESCN(C)CCS(=O)(=O)N1C[C@H]2C[C@H]2C1
InChIInChI=1S/C9H18N2O2S/c1-10(2)3-4-14(12,13)11-6-8-5-9(8)7-11/h8-9H,3-7H2,1-2H3/t8-,9+
InChIKeyFLOWGQJZVIRCHJ-DTORHVGOSA-N
XLogP-0.17
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.32
LogP ≤ 5-0.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[(1R,5S)-3-azabicyclo[3.1.0]hexan-3-yl]sulfonyl]-N,N-dimethylethanamine?
The IUPAC name of 2-[[(1R,5S)-3-azabicyclo[3.1.0]hexan-3-yl]sulfonyl]-N,N-dimethylethanamine (CID 91591648) is 2-[[(1R,5S)-3-azabicyclo[3.1.0]hexan-3-yl]sulfonyl]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[[(1R,5S)-3-azabicyclo[3.1.0]hexan-3-yl]sulfonyl]-N,N-dimethylethanamine?
The canonical SMILES for 2-[[(1R,5S)-3-azabicyclo[3.1.0]hexan-3-yl]sulfonyl]-N,N-dimethylethanamine is CN(C)CCS(=O)(=O)N1C[C@H]2C[C@H]2C1.
What is the InChIKey of 2-[[(1R,5S)-3-azabicyclo[3.1.0]hexan-3-yl]sulfonyl]-N,N-dimethylethanamine?
The InChIKey is FLOWGQJZVIRCHJ-DTORHVGOSA-N. The full InChI is InChI=1S/C9H18N2O2S/c1-10(2)3-4-14(12,13)11-6-8-5-9(8)7-11/h8-9H,3-7H2,1-2H3/t8-,9+.
What are the key properties of 2-[[(1R,5S)-3-azabicyclo[3.1.0]hexan-3-yl]sulfonyl]-N,N-dimethylethanamine?
2-[[(1R,5S)-3-azabicyclo[3.1.0]hexan-3-yl]sulfonyl]-N,N-dimethylethanamine has a molecular weight of 218.32 g/mol, XLogP of -0.17, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1R,5S)-3-azabicyclo[3.1.0]hexan-3-yl]sulfonyl]-N,N-dimethylethanamine is sourced from PubChem (CID 91591648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).