N-(1-methylsulfonylpropan-2-yl)cyclopropanamine

C7H15NO2S — CID 54592973

IUPACN-(1-methylsulfonylpropan-2-yl)cyclopropanamine
SMILESCC(CS(C)(=O)=O)NC1CC1
InChIInChI=1S/C7H15NO2S/c1-6(5-11(2,9)10)8-7-3-4-7/h6-8H,3-5H2,1-2H3
InChIKeyAITRKZFZLMGCFA-UHFFFAOYSA-N
MW177.27 g/mol
LogP0.17
Rot. Bonds4

About N-(1-methylsulfonylpropan-2-yl)cyclopropanamine

N-(1-methylsulfonylpropan-2-yl)cyclopropanamine (PubChem CID 54592973) has the molecular formula C7H15NO2S and a molecular weight of 177.27 g/mol. Its IUPAC name is N-(1-methylsulfonylpropan-2-yl)cyclopropanamine.

Molecular Properties

Compound NameN-(1-methylsulfonylpropan-2-yl)cyclopropanamine
PubChem CID54592973
Molecular FormulaC7H15NO2S
Molecular Weight177.27 g/mol
Exact Mass177.08
IUPAC NameN-(1-methylsulfonylpropan-2-yl)cyclopropanamine
SMILESCC(CS(C)(=O)=O)NC1CC1
InChIInChI=1S/C7H15NO2S/c1-6(5-11(2,9)10)8-7-3-4-7/h6-8H,3-5H2,1-2H3
InChIKeyAITRKZFZLMGCFA-UHFFFAOYSA-N
XLogP0.17
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.27
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-methylsulfonylpropan-2-yl)cyclopropanamine?
The IUPAC name of N-(1-methylsulfonylpropan-2-yl)cyclopropanamine (CID 54592973) is N-(1-methylsulfonylpropan-2-yl)cyclopropanamine.
What is the SMILES notation for N-(1-methylsulfonylpropan-2-yl)cyclopropanamine?
The canonical SMILES for N-(1-methylsulfonylpropan-2-yl)cyclopropanamine is CC(CS(C)(=O)=O)NC1CC1.
What is the InChIKey of N-(1-methylsulfonylpropan-2-yl)cyclopropanamine?
The InChIKey is AITRKZFZLMGCFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO2S/c1-6(5-11(2,9)10)8-7-3-4-7/h6-8H,3-5H2,1-2H3.
What are the key properties of N-(1-methylsulfonylpropan-2-yl)cyclopropanamine?
N-(1-methylsulfonylpropan-2-yl)cyclopropanamine has a molecular weight of 177.27 g/mol, XLogP of 0.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylsulfonylpropan-2-yl)cyclopropanamine is sourced from PubChem (CID 54592973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).