N-[[1-(2-methylsulfonylethyl)piperidin-3-yl]methyl]cyclopropanamine

C12H24N2O2S — CID 55220493

IUPACN-[[1-(2-methylsulfonylethyl)piperidin-3-yl]methyl]cyclopropanamine
SMILESCS(=O)(=O)CCN1CCCC(CNC2CC2)C1
InChIInChI=1S/C12H24N2O2S/c1-17(15,16)8-7-14-6-2-3-11(10-14)9-13-12-4-5-12/h11-13H,2-10H2,1H3
InChIKeyMZLSNUCQJXTZNM-UHFFFAOYSA-N
MW260.40 g/mol
LogP0.50
Rot. Bonds6

About N-[[1-(2-methylsulfonylethyl)piperidin-3-yl]methyl]cyclopropanamine

N-[[1-(2-methylsulfonylethyl)piperidin-3-yl]methyl]cyclopropanamine (PubChem CID 55220493) has the molecular formula C12H24N2O2S and a molecular weight of 260.40 g/mol. Its IUPAC name is N-[[1-(2-methylsulfonylethyl)piperidin-3-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[1-(2-methylsulfonylethyl)piperidin-3-yl]methyl]cyclopropanamine
PubChem CID55220493
Molecular FormulaC12H24N2O2S
Molecular Weight260.40 g/mol
Exact Mass260.16
IUPAC NameN-[[1-(2-methylsulfonylethyl)piperidin-3-yl]methyl]cyclopropanamine
SMILESCS(=O)(=O)CCN1CCCC(CNC2CC2)C1
InChIInChI=1S/C12H24N2O2S/c1-17(15,16)8-7-14-6-2-3-11(10-14)9-13-12-4-5-12/h11-13H,2-10H2,1H3
InChIKeyMZLSNUCQJXTZNM-UHFFFAOYSA-N
XLogP0.50
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.40
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-methylsulfonylethyl)piperidin-3-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[1-(2-methylsulfonylethyl)piperidin-3-yl]methyl]cyclopropanamine (CID 55220493) is N-[[1-(2-methylsulfonylethyl)piperidin-3-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[1-(2-methylsulfonylethyl)piperidin-3-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[1-(2-methylsulfonylethyl)piperidin-3-yl]methyl]cyclopropanamine is CS(=O)(=O)CCN1CCCC(CNC2CC2)C1.
What is the InChIKey of N-[[1-(2-methylsulfonylethyl)piperidin-3-yl]methyl]cyclopropanamine?
The InChIKey is MZLSNUCQJXTZNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2S/c1-17(15,16)8-7-14-6-2-3-11(10-14)9-13-12-4-5-12/h11-13H,2-10H2,1H3.
What are the key properties of N-[[1-(2-methylsulfonylethyl)piperidin-3-yl]methyl]cyclopropanamine?
N-[[1-(2-methylsulfonylethyl)piperidin-3-yl]methyl]cyclopropanamine has a molecular weight of 260.40 g/mol, XLogP of 0.50, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-methylsulfonylethyl)piperidin-3-yl]methyl]cyclopropanamine is sourced from PubChem (CID 55220493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).