[4-(cyclopropylsulfonylmethyl)-2-pyridinyl]methanamine

C10H14N2O2S — CID 167386346

IUPAC[4-(cyclopropylsulfonylmethyl)-2-pyridinyl]methanamine
SMILESNCc1cc(CS(=O)(=O)C2CC2)ccn1
InChIInChI=1S/C10H14N2O2S/c11-6-9-5-8(3-4-12-9)7-15(13,14)10-1-2-10/h3-5,10H,1-2,6-7,11H2
InChIKeyXFSGPAOYEIJYPG-UHFFFAOYSA-N
MW226.30 g/mol
LogP0.62
Rot. Bonds4

About [4-(cyclopropylsulfonylmethyl)-2-pyridinyl]methanamine

[4-(cyclopropylsulfonylmethyl)-2-pyridinyl]methanamine (PubChem CID 167386346) has the molecular formula C10H14N2O2S and a molecular weight of 226.30 g/mol. Its IUPAC name is [4-(cyclopropylsulfonylmethyl)-2-pyridinyl]methanamine.

Molecular Properties

Compound Name[4-(cyclopropylsulfonylmethyl)-2-pyridinyl]methanamine
PubChem CID167386346
Molecular FormulaC10H14N2O2S
Molecular Weight226.30 g/mol
Exact Mass226.08
IUPAC Name[4-(cyclopropylsulfonylmethyl)-2-pyridinyl]methanamine
SMILESNCc1cc(CS(=O)(=O)C2CC2)ccn1
InChIInChI=1S/C10H14N2O2S/c11-6-9-5-8(3-4-12-9)7-15(13,14)10-1-2-10/h3-5,10H,1-2,6-7,11H2
InChIKeyXFSGPAOYEIJYPG-UHFFFAOYSA-N
XLogP0.62
TPSA73.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.30
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(cyclopropylsulfonylmethyl)-2-pyridinyl]methanamine?
The IUPAC name of [4-(cyclopropylsulfonylmethyl)-2-pyridinyl]methanamine (CID 167386346) is [4-(cyclopropylsulfonylmethyl)-2-pyridinyl]methanamine.
What is the SMILES notation for [4-(cyclopropylsulfonylmethyl)-2-pyridinyl]methanamine?
The canonical SMILES for [4-(cyclopropylsulfonylmethyl)-2-pyridinyl]methanamine is NCc1cc(CS(=O)(=O)C2CC2)ccn1.
What is the InChIKey of [4-(cyclopropylsulfonylmethyl)-2-pyridinyl]methanamine?
The InChIKey is XFSGPAOYEIJYPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2S/c11-6-9-5-8(3-4-12-9)7-15(13,14)10-1-2-10/h3-5,10H,1-2,6-7,11H2.
What are the key properties of [4-(cyclopropylsulfonylmethyl)-2-pyridinyl]methanamine?
[4-(cyclopropylsulfonylmethyl)-2-pyridinyl]methanamine has a molecular weight of 226.30 g/mol, XLogP of 0.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(cyclopropylsulfonylmethyl)-2-pyridinyl]methanamine is sourced from PubChem (CID 167386346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).