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

C10H20N2O2S — CID 90939359

IUPAC3-[[(1R,5S)-3-azabicyclo[3.1.0]hexan-3-yl]sulfonyl]-N,N-dimethylpropan-1-amine
SMILESCN(C)CCCS(=O)(=O)N1C[C@H]2C[C@H]2C1
InChIInChI=1S/C10H20N2O2S/c1-11(2)4-3-5-15(13,14)12-7-9-6-10(9)8-12/h9-10H,3-8H2,1-2H3/t9-,10+
InChIKeyMJHZGGFUEISGAO-AOOOYVTPSA-N
MW232.35 g/mol
LogP0.22
Rot. Bonds5

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

3-[[(1R,5S)-3-azabicyclo[3.1.0]hexan-3-yl]sulfonyl]-N,N-dimethylpropan-1-amine (PubChem CID 90939359) has the molecular formula C10H20N2O2S and a molecular weight of 232.35 g/mol. Its IUPAC name is 3-[[(1R,5S)-3-azabicyclo[3.1.0]hexan-3-yl]sulfonyl]-N,N-dimethylpropan-1-amine.

Molecular Properties

Compound Name3-[[(1R,5S)-3-azabicyclo[3.1.0]hexan-3-yl]sulfonyl]-N,N-dimethylpropan-1-amine
PubChem CID90939359
Molecular FormulaC10H20N2O2S
Molecular Weight232.35 g/mol
Exact Mass232.12
IUPAC Name3-[[(1R,5S)-3-azabicyclo[3.1.0]hexan-3-yl]sulfonyl]-N,N-dimethylpropan-1-amine
SMILESCN(C)CCCS(=O)(=O)N1C[C@H]2C[C@H]2C1
InChIInChI=1S/C10H20N2O2S/c1-11(2)4-3-5-15(13,14)12-7-9-6-10(9)8-12/h9-10H,3-8H2,1-2H3/t9-,10+
InChIKeyMJHZGGFUEISGAO-AOOOYVTPSA-N
XLogP0.22
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.35
LogP ≤ 50.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[[(1R,5S)-3-azabicyclo[3.1.0]hexan-3-yl]sulfonyl]-N,N-dimethylpropan-1-amine?
The IUPAC name of 3-[[(1R,5S)-3-azabicyclo[3.1.0]hexan-3-yl]sulfonyl]-N,N-dimethylpropan-1-amine (CID 90939359) is 3-[[(1R,5S)-3-azabicyclo[3.1.0]hexan-3-yl]sulfonyl]-N,N-dimethylpropan-1-amine.
What is the SMILES notation for 3-[[(1R,5S)-3-azabicyclo[3.1.0]hexan-3-yl]sulfonyl]-N,N-dimethylpropan-1-amine?
The canonical SMILES for 3-[[(1R,5S)-3-azabicyclo[3.1.0]hexan-3-yl]sulfonyl]-N,N-dimethylpropan-1-amine is CN(C)CCCS(=O)(=O)N1C[C@H]2C[C@H]2C1.
What is the InChIKey of 3-[[(1R,5S)-3-azabicyclo[3.1.0]hexan-3-yl]sulfonyl]-N,N-dimethylpropan-1-amine?
The InChIKey is MJHZGGFUEISGAO-AOOOYVTPSA-N. The full InChI is InChI=1S/C10H20N2O2S/c1-11(2)4-3-5-15(13,14)12-7-9-6-10(9)8-12/h9-10H,3-8H2,1-2H3/t9-,10+.
What are the key properties of 3-[[(1R,5S)-3-azabicyclo[3.1.0]hexan-3-yl]sulfonyl]-N,N-dimethylpropan-1-amine?
3-[[(1R,5S)-3-azabicyclo[3.1.0]hexan-3-yl]sulfonyl]-N,N-dimethylpropan-1-amine has a molecular weight of 232.35 g/mol, XLogP of 0.22, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(1R,5S)-3-azabicyclo[3.1.0]hexan-3-yl]sulfonyl]-N,N-dimethylpropan-1-amine is sourced from PubChem (CID 90939359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).