N-[[1-(4-methylsulfonylphenyl)piperidin-2-yl]methyl]cyclopropanamine

C16H24N2O2S — CID 62592004

IUPACN-[[1-(4-methylsulfonylphenyl)piperidin-2-yl]methyl]cyclopropanamine
SMILESCS(=O)(=O)c1ccc(N2CCCCC2CNC2CC2)cc1
InChIInChI=1S/C16H24N2O2S/c1-21(19,20)16-9-7-14(8-10-16)18-11-3-2-4-15(18)12-17-13-5-6-13/h7-10,13,15,17H,2-6,11-12H2,1H3
InChIKeyKIYXKKZEMCQIHU-UHFFFAOYSA-N
MW308.45 g/mol
LogP2.20
Rot. Bonds5

About N-[[1-(4-methylsulfonylphenyl)piperidin-2-yl]methyl]cyclopropanamine

N-[[1-(4-methylsulfonylphenyl)piperidin-2-yl]methyl]cyclopropanamine (PubChem CID 62592004) has the molecular formula C16H24N2O2S and a molecular weight of 308.45 g/mol. Its IUPAC name is N-[[1-(4-methylsulfonylphenyl)piperidin-2-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[1-(4-methylsulfonylphenyl)piperidin-2-yl]methyl]cyclopropanamine
PubChem CID62592004
Molecular FormulaC16H24N2O2S
Molecular Weight308.45 g/mol
Exact Mass308.16
IUPAC NameN-[[1-(4-methylsulfonylphenyl)piperidin-2-yl]methyl]cyclopropanamine
SMILESCS(=O)(=O)c1ccc(N2CCCCC2CNC2CC2)cc1
InChIInChI=1S/C16H24N2O2S/c1-21(19,20)16-9-7-14(8-10-16)18-11-3-2-4-15(18)12-17-13-5-6-13/h7-10,13,15,17H,2-6,11-12H2,1H3
InChIKeyKIYXKKZEMCQIHU-UHFFFAOYSA-N
XLogP2.20
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.45
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-methylsulfonylphenyl)piperidin-2-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[1-(4-methylsulfonylphenyl)piperidin-2-yl]methyl]cyclopropanamine (CID 62592004) is N-[[1-(4-methylsulfonylphenyl)piperidin-2-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[1-(4-methylsulfonylphenyl)piperidin-2-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[1-(4-methylsulfonylphenyl)piperidin-2-yl]methyl]cyclopropanamine is CS(=O)(=O)c1ccc(N2CCCCC2CNC2CC2)cc1.
What is the InChIKey of N-[[1-(4-methylsulfonylphenyl)piperidin-2-yl]methyl]cyclopropanamine?
The InChIKey is KIYXKKZEMCQIHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2S/c1-21(19,20)16-9-7-14(8-10-16)18-11-3-2-4-15(18)12-17-13-5-6-13/h7-10,13,15,17H,2-6,11-12H2,1H3.
What are the key properties of N-[[1-(4-methylsulfonylphenyl)piperidin-2-yl]methyl]cyclopropanamine?
N-[[1-(4-methylsulfonylphenyl)piperidin-2-yl]methyl]cyclopropanamine has a molecular weight of 308.45 g/mol, XLogP of 2.20, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4-methylsulfonylphenyl)piperidin-2-yl]methyl]cyclopropanamine is sourced from PubChem (CID 62592004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).