(3-ethylsulfonyl-2-pyridinyl)methanamine

C8H12N2O2S — CID 146050328

IUPAC(3-ethylsulfonyl-2-pyridinyl)methanamine
SMILESCCS(=O)(=O)c1cccnc1CN
InChIInChI=1S/C8H12N2O2S/c1-2-13(11,12)8-4-3-5-10-7(8)6-9/h3-5H,2,6,9H2,1H3
InChIKeyIRWFGIGOFZWMAM-UHFFFAOYSA-N
MW200.26 g/mol
LogP0.33
Rot. Bonds3

About (3-ethylsulfonyl-2-pyridinyl)methanamine

(3-ethylsulfonyl-2-pyridinyl)methanamine (PubChem CID 146050328) has the molecular formula C8H12N2O2S and a molecular weight of 200.26 g/mol. Its IUPAC name is (3-ethylsulfonyl-2-pyridinyl)methanamine.

Molecular Properties

Compound Name(3-ethylsulfonyl-2-pyridinyl)methanamine
PubChem CID146050328
Molecular FormulaC8H12N2O2S
Molecular Weight200.26 g/mol
Exact Mass200.06
IUPAC Name(3-ethylsulfonyl-2-pyridinyl)methanamine
SMILESCCS(=O)(=O)c1cccnc1CN
InChIInChI=1S/C8H12N2O2S/c1-2-13(11,12)8-4-3-5-10-7(8)6-9/h3-5H,2,6,9H2,1H3
InChIKeyIRWFGIGOFZWMAM-UHFFFAOYSA-N
XLogP0.33
TPSA73.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.26
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(aminomethyl)-N-(2-ethoxyethyl)pyridine-3-sulfonamide
CID 106593983
2-(aminomethyl)-N,N-dibutylpyridine-3-sulfonamide
CID 106593797
2-(aminomethyl)-N-methyl-N-(2-methylsulfonylethyl)pyridine-3-sulfonamide
CID 106594703
2-(aminomethyl)-N-ethyl-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide
CID 106594255
2-(aminomethyl)-N-methyl-N-(3-methylbutyl)pyridine-3-sulfonamide
CID 106594065
2-(aminomethyl)-N-benzyl-N-ethylpyridine-3-sulfonamide
CID 106593798
2-(aminomethyl)-N-ethyl-N-(2-ethylbutyl)pyridine-3-sulfonamide
CID 106593972
2-(aminomethyl)-N-methyl-N-(2-methylbutyl)pyridine-3-sulfonamide
CID 106593839
2-(aminomethyl)-N-hexan-3-ylpyridine-3-sulfonamide
CID 106594380
(3-pyrrolidin-1-ylsulfonyl-2-pyridinyl)methanamine
CID 106593652
2-(aminomethyl)-N-(4-ethoxyphenyl)pyridine-3-sulfonamide
CID 106593695
2-(aminomethyl)-N-[(1-ethylcyclopropyl)methyl]pyridine-3-sulfonamide
CID 114099734

Frequently Asked Questions

What is the IUPAC name of (3-ethylsulfonyl-2-pyridinyl)methanamine?
The IUPAC name of (3-ethylsulfonyl-2-pyridinyl)methanamine (CID 146050328) is (3-ethylsulfonyl-2-pyridinyl)methanamine.
What is the SMILES notation for (3-ethylsulfonyl-2-pyridinyl)methanamine?
The canonical SMILES for (3-ethylsulfonyl-2-pyridinyl)methanamine is CCS(=O)(=O)c1cccnc1CN.
What is the InChIKey of (3-ethylsulfonyl-2-pyridinyl)methanamine?
The InChIKey is IRWFGIGOFZWMAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2S/c1-2-13(11,12)8-4-3-5-10-7(8)6-9/h3-5H,2,6,9H2,1H3.
What are the key properties of (3-ethylsulfonyl-2-pyridinyl)methanamine?
(3-ethylsulfonyl-2-pyridinyl)methanamine has a molecular weight of 200.26 g/mol, XLogP of 0.33, 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 is sourced from PubChem (CID 146050328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).