(2-ethyl-4-pyridinyl)-sulfinylmethanamine

C8H10N2OS — CID 71316501

IUPAC(2-ethyl-4-pyridinyl)-sulfinylmethanamine
SMILESCCc1cc(C(N)=S=O)ccn1
InChIInChI=1S/C8H10N2OS/c1-2-7-5-6(3-4-10-7)8(9)12-11/h3-5H,2,9H2,1H3
InChIKeyQDQQNGZRIJPDGA-UHFFFAOYSA-N
MW182.25 g/mol
LogP0.29
Rot. Bonds2

About (2-ethyl-4-pyridinyl)-sulfinylmethanamine

(2-ethyl-4-pyridinyl)-sulfinylmethanamine (PubChem CID 71316501) has the molecular formula C8H10N2OS and a molecular weight of 182.25 g/mol. Its IUPAC name is (2-ethyl-4-pyridinyl)-sulfinylmethanamine.

Molecular Properties

Compound Name(2-ethyl-4-pyridinyl)-sulfinylmethanamine
PubChem CID71316501
Molecular FormulaC8H10N2OS
Molecular Weight182.25 g/mol
Exact Mass182.05
IUPAC Name(2-ethyl-4-pyridinyl)-sulfinylmethanamine
SMILESCCc1cc(C(N)=S=O)ccn1
InChIInChI=1S/C8H10N2OS/c1-2-7-5-6(3-4-10-7)8(9)12-11/h3-5H,2,9H2,1H3
InChIKeyQDQQNGZRIJPDGA-UHFFFAOYSA-N
XLogP0.29
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.25
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

2-ethylpyridine-4-carbonyl chloride
CID 45081393
ethane;methyl 2-ethylpyridine-4-carboxylate
CID 144656237
2-ethylpyridin-4-amine
CID 12015366
(2-ethyl-4-pyridinyl)methanamine;hydrochloride
CID 138109972
2-(aminomethyl)pyridine-4-carboxamide;hydrochloride
CID 135395084
2-ethylpyridine-4-carbothioamide;(2S)-2-[2-[[(2S)-1-hydroxybutan-2-yl]amino]ethylamino]butan-1-ol
CID 87769567
2-ethylpyridine-4-carbothioamide;(2S)-2-[2-[[(2S)-1-hydroxybutan-2-yl]amino]ethylamino]butan-1-ol;hydrochloride
CID 87094183
(4R)-4-amino-1,2-oxazolidin-3-one;2-ethylpyridine-4-carbothioamide
CID 3001388
2-(chloromethyl)pyridine-4-carboxamide
CID 22993396
ethane;2-ethylpyridine-4-carboxylic acid;5-fluoro-6-methylpyridine-3-carboxylic acid
CID 145419435
ethyl 2-(fluoromethyl)pyridine-4-carboxylate
CID 75530092
N'-(benzenesulfonyl)-2-ethylpyridine-4-carbohydrazide
CID 165352501

Frequently Asked Questions

What is the IUPAC name of (2-ethyl-4-pyridinyl)-sulfinylmethanamine?
The IUPAC name of (2-ethyl-4-pyridinyl)-sulfinylmethanamine (CID 71316501) is (2-ethyl-4-pyridinyl)-sulfinylmethanamine.
What is the SMILES notation for (2-ethyl-4-pyridinyl)-sulfinylmethanamine?
The canonical SMILES for (2-ethyl-4-pyridinyl)-sulfinylmethanamine is CCc1cc(C(N)=S=O)ccn1.
What is the InChIKey of (2-ethyl-4-pyridinyl)-sulfinylmethanamine?
The InChIKey is QDQQNGZRIJPDGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2OS/c1-2-7-5-6(3-4-10-7)8(9)12-11/h3-5H,2,9H2,1H3.
What are the key properties of (2-ethyl-4-pyridinyl)-sulfinylmethanamine?
(2-ethyl-4-pyridinyl)-sulfinylmethanamine has a molecular weight of 182.25 g/mol, XLogP of 0.29, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethyl-4-pyridinyl)-sulfinylmethanamine is sourced from PubChem (CID 71316501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).