6-chloro-N-[(2-methylthiolan-2-yl)methyl]pyridin-2-amine

C11H15ClN2S — CID 80734751

IUPAC6-chloro-N-[(2-methylthiolan-2-yl)methyl]pyridin-2-amine
SMILESCC1(CNc2cccc(Cl)n2)CCCS1
InChIInChI=1S/C11H15ClN2S/c1-11(6-3-7-15-11)8-13-10-5-2-4-9(12)14-10/h2,4-5H,3,6-8H2,1H3,(H,13,14)
InChIKeyAVOZSIYPUXELTL-UHFFFAOYSA-N
MW242.77 g/mol
LogP3.43
Rot. Bonds3

About 6-chloro-N-[(2-methylthiolan-2-yl)methyl]pyridin-2-amine

6-chloro-N-[(2-methylthiolan-2-yl)methyl]pyridin-2-amine (PubChem CID 80734751) has the molecular formula C11H15ClN2S and a molecular weight of 242.77 g/mol. Its IUPAC name is 6-chloro-N-[(2-methylthiolan-2-yl)methyl]pyridin-2-amine.

Molecular Properties

Compound Name6-chloro-N-[(2-methylthiolan-2-yl)methyl]pyridin-2-amine
PubChem CID80734751
Molecular FormulaC11H15ClN2S
Molecular Weight242.77 g/mol
Exact Mass242.06
IUPAC Name6-chloro-N-[(2-methylthiolan-2-yl)methyl]pyridin-2-amine
SMILESCC1(CNc2cccc(Cl)n2)CCCS1
InChIInChI=1S/C11H15ClN2S/c1-11(6-3-7-15-11)8-13-10-5-2-4-9(12)14-10/h2,4-5H,3,6-8H2,1H3,(H,13,14)
InChIKeyAVOZSIYPUXELTL-UHFFFAOYSA-N
XLogP3.43
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.77
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

6-[(2-methylthiolan-2-yl)methylamino]pyridine-2-carbothioamide
CID 80738134
7-chloro-N-[(2-methylthiolan-2-yl)methyl]-1,3-benzothiazol-2-amine
CID 80724153
6-chloro-2-[(2-methylthiolan-2-yl)methylamino]pyridine-3-carboxylic acid
CID 80737913
1-[[(6-chloro-2-pyridinyl)amino]methyl]cyclohexan-1-ol
CID 65109143
2-N-[(2-methylthiolan-2-yl)methyl]quinoline-2,6-diamine
CID 80737178
2-N-[(2-methylthiolan-2-yl)methyl]pyrazine-2,6-diamine
CID 80527980
N-[(2-methylthiolan-2-yl)methyl]phthalazin-1-amine
CID 80724137
6-methyl-N-[(2-methylthiolan-2-yl)methyl]-2-propan-2-ylpyrimidin-4-amine
CID 80527909
2-N-ethyl-6-N-[(2-methylthiolan-2-yl)methyl]-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102718971
5-bromo-4-methyl-N-[(2-methylthiolan-2-yl)methyl]pyridin-2-amine
CID 115774245
6-chloro-N-(2-methylpropyl)pyridin-2-amine
CID 53410300
methyl 4-chloro-2-[(2-methylthiolan-2-yl)methylamino]-1,3-thiazole-5-carboxylate
CID 80528141

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[(2-methylthiolan-2-yl)methyl]pyridin-2-amine?
The IUPAC name of 6-chloro-N-[(2-methylthiolan-2-yl)methyl]pyridin-2-amine (CID 80734751) is 6-chloro-N-[(2-methylthiolan-2-yl)methyl]pyridin-2-amine.
What is the SMILES notation for 6-chloro-N-[(2-methylthiolan-2-yl)methyl]pyridin-2-amine?
The canonical SMILES for 6-chloro-N-[(2-methylthiolan-2-yl)methyl]pyridin-2-amine is CC1(CNc2cccc(Cl)n2)CCCS1.
What is the InChIKey of 6-chloro-N-[(2-methylthiolan-2-yl)methyl]pyridin-2-amine?
The InChIKey is AVOZSIYPUXELTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2S/c1-11(6-3-7-15-11)8-13-10-5-2-4-9(12)14-10/h2,4-5H,3,6-8H2,1H3,(H,13,14).
What are the key properties of 6-chloro-N-[(2-methylthiolan-2-yl)methyl]pyridin-2-amine?
6-chloro-N-[(2-methylthiolan-2-yl)methyl]pyridin-2-amine has a molecular weight of 242.77 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[(2-methylthiolan-2-yl)methyl]pyridin-2-amine is sourced from PubChem (CID 80734751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).