(3-ethylsulfonyl-2-pyridinyl)methanamine;hydrochloride

C8H13ClN2O2S — CID 146050327

IUPAC(3-ethylsulfonyl-2-pyridinyl)methanamine;hydrochloride
SMILESCCS(=O)(=O)c1cccnc1CN.Cl
InChIInChI=1S/C8H12N2O2S.ClH/c1-2-13(11,12)8-4-3-5-10-7(8)6-9;/h3-5H,2,6,9H2,1H3;1H
InChIKeyGMZFBDDNJJRWRN-UHFFFAOYSA-N
MW236.72 g/mol
LogP0.76
Rot. Bonds3

About (3-ethylsulfonyl-2-pyridinyl)methanamine;hydrochloride

(3-ethylsulfonyl-2-pyridinyl)methanamine;hydrochloride (PubChem CID 146050327) has the molecular formula C8H13ClN2O2S and a molecular weight of 236.72 g/mol. Its IUPAC name is (3-ethylsulfonyl-2-pyridinyl)methanamine;hydrochloride.

Molecular Properties

Compound Name(3-ethylsulfonyl-2-pyridinyl)methanamine;hydrochloride
PubChem CID146050327
Molecular FormulaC8H13ClN2O2S
Molecular Weight236.72 g/mol
Exact Mass236.04
IUPAC Name(3-ethylsulfonyl-2-pyridinyl)methanamine;hydrochloride
SMILESCCS(=O)(=O)c1cccnc1CN.Cl
InChIInChI=1S/C8H12N2O2S.ClH/c1-2-13(11,12)8-4-3-5-10-7(8)6-9;/h3-5H,2,6,9H2,1H3;1H
InChIKeyGMZFBDDNJJRWRN-UHFFFAOYSA-N
XLogP0.76
TPSA73.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.72
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-ethylsulfonyl-2-pyridinyl)methanamine;hydrochloride?
The IUPAC name of (3-ethylsulfonyl-2-pyridinyl)methanamine;hydrochloride (CID 146050327) is (3-ethylsulfonyl-2-pyridinyl)methanamine;hydrochloride.
What is the SMILES notation for (3-ethylsulfonyl-2-pyridinyl)methanamine;hydrochloride?
The canonical SMILES for (3-ethylsulfonyl-2-pyridinyl)methanamine;hydrochloride is CCS(=O)(=O)c1cccnc1CN.Cl.
What is the InChIKey of (3-ethylsulfonyl-2-pyridinyl)methanamine;hydrochloride?
The InChIKey is GMZFBDDNJJRWRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2S.ClH/c1-2-13(11,12)8-4-3-5-10-7(8)6-9;/h3-5H,2,6,9H2,1H3;1H.
What are the key properties of (3-ethylsulfonyl-2-pyridinyl)methanamine;hydrochloride?
(3-ethylsulfonyl-2-pyridinyl)methanamine;hydrochloride has a molecular weight of 236.72 g/mol, XLogP of 0.76, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethylsulfonyl-2-pyridinyl)methanamine;hydrochloride is sourced from PubChem (CID 146050327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).