2-amino-2-(3-methyl-2-pyridinyl)ethanethiol

C8H12N2S — CID 88739390

IUPAC2-amino-2-(3-methyl-2-pyridinyl)ethanethiol
SMILESCc1cccnc1C(N)CS
InChIInChI=1S/C8H12N2S/c1-6-3-2-4-10-8(6)7(9)5-11/h2-4,7,11H,5,9H2,1H3
InChIKeyGALNHMOHLJAYTO-UHFFFAOYSA-N
MW168.26 g/mol
LogP1.32
Rot. Bonds2

About 2-amino-2-(3-methyl-2-pyridinyl)ethanethiol

2-amino-2-(3-methyl-2-pyridinyl)ethanethiol (PubChem CID 88739390) has the molecular formula C8H12N2S and a molecular weight of 168.26 g/mol. Its IUPAC name is 2-amino-2-(3-methyl-2-pyridinyl)ethanethiol.

Molecular Properties

Compound Name2-amino-2-(3-methyl-2-pyridinyl)ethanethiol
PubChem CID88739390
Molecular FormulaC8H12N2S
Molecular Weight168.26 g/mol
Exact Mass168.07
IUPAC Name2-amino-2-(3-methyl-2-pyridinyl)ethanethiol
SMILESCc1cccnc1C(N)CS
InChIInChI=1S/C8H12N2S/c1-6-3-2-4-10-8(6)7(9)5-11/h2-4,7,11H,5,9H2,1H3
InChIKeyGALNHMOHLJAYTO-UHFFFAOYSA-N
XLogP1.32
TPSA38.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.26
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

(1R)-1-(3-methyl-2-pyridinyl)ethane-1,2-diamine
CID 55264530
2-amino-2-(3-methyl-2-pyridinyl)ethanol
CID 55293811
(1S)-2-methoxy-1-(3-methyl-2-pyridinyl)ethanamine
CID 55293686
(1S)-3,3,3-trifluoro-1-(3-methyl-2-pyridinyl)propan-1-amine
CID 130713891
(1S)-2-cyclopropyl-1-(3-methyl-2-pyridinyl)ethanamine
CID 55293023
1-(3-methyl-2-pyridinyl)ethanamine;dihydrochloride
CID 127264674
1-(3-methyl-2-pyridinyl)-4-methylsulfonylbutan-1-amine
CID 63192413
1-(3-methyl-2-pyridinyl)-2-(1,3-thiazol-5-yl)ethanamine
CID 112642901
2-(1-ethylimidazol-2-yl)-1-(3-methyl-2-pyridinyl)ethanamine
CID 79751489
5-fluoro-3-methylidene-1-(3-methyl-2-pyridinyl)hex-4-en-1-amine
CID 123631226
2-[(1R)-1-bromoethyl]-3-methylpyridine
CID 124561597
2-(4-methoxy-3,5-dimethyl-2-pyridinyl)-1-(3-methyl-2-pyridinyl)ethanamine
CID 62603573

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(3-methyl-2-pyridinyl)ethanethiol?
The IUPAC name of 2-amino-2-(3-methyl-2-pyridinyl)ethanethiol (CID 88739390) is 2-amino-2-(3-methyl-2-pyridinyl)ethanethiol.
What is the SMILES notation for 2-amino-2-(3-methyl-2-pyridinyl)ethanethiol?
The canonical SMILES for 2-amino-2-(3-methyl-2-pyridinyl)ethanethiol is Cc1cccnc1C(N)CS.
What is the InChIKey of 2-amino-2-(3-methyl-2-pyridinyl)ethanethiol?
The InChIKey is GALNHMOHLJAYTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2S/c1-6-3-2-4-10-8(6)7(9)5-11/h2-4,7,11H,5,9H2,1H3.
What are the key properties of 2-amino-2-(3-methyl-2-pyridinyl)ethanethiol?
2-amino-2-(3-methyl-2-pyridinyl)ethanethiol has a molecular weight of 168.26 g/mol, XLogP of 1.32, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(3-methyl-2-pyridinyl)ethanethiol is sourced from PubChem (CID 88739390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).