6-chloro-N-[(1-methylsulfanylcyclopropyl)methyl]pyridin-3-amine

C10H13ClN2S — CID 130506214

IUPAC6-chloro-N-[(1-methylsulfanylcyclopropyl)methyl]pyridin-3-amine
SMILESCSC1(CNc2ccc(Cl)nc2)CC1
InChIInChI=1S/C10H13ClN2S/c1-14-10(4-5-10)7-13-8-2-3-9(11)12-6-8/h2-3,6,13H,4-5,7H2,1H3
InChIKeyZMYSCRWDETVVDR-UHFFFAOYSA-N
MW228.75 g/mol
LogP3.04
Rot. Bonds4

About 6-chloro-N-[(1-methylsulfanylcyclopropyl)methyl]pyridin-3-amine

6-chloro-N-[(1-methylsulfanylcyclopropyl)methyl]pyridin-3-amine (PubChem CID 130506214) has the molecular formula C10H13ClN2S and a molecular weight of 228.75 g/mol. Its IUPAC name is 6-chloro-N-[(1-methylsulfanylcyclopropyl)methyl]pyridin-3-amine.

Molecular Properties

Compound Name6-chloro-N-[(1-methylsulfanylcyclopropyl)methyl]pyridin-3-amine
PubChem CID130506214
Molecular FormulaC10H13ClN2S
Molecular Weight228.75 g/mol
Exact Mass228.05
IUPAC Name6-chloro-N-[(1-methylsulfanylcyclopropyl)methyl]pyridin-3-amine
SMILESCSC1(CNc2ccc(Cl)nc2)CC1
InChIInChI=1S/C10H13ClN2S/c1-14-10(4-5-10)7-13-8-2-3-9(11)12-6-8/h2-3,6,13H,4-5,7H2,1H3
InChIKeyZMYSCRWDETVVDR-UHFFFAOYSA-N
XLogP3.04
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.75
LogP ≤ 53.04
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-chloro-N-[(1-methylsulfanylcyclopropyl)methyl]pyridine-3-sulfonamide
CID 107271026
6-chloro-N-[2-[1-(dimethylamino)cyclopropyl]ethyl]pyridin-3-amine
CID 90735208
[(6-chloro-3-pyridinyl)amino]methanethiol
CID 88611899
6-chloro-N-[(1-methylsulfanylcyclobutyl)methyl]pyrazin-2-amine
CID 107268817
N-[(1-methylsulfanylcyclopropyl)methyl]quinoxalin-2-amine
CID 107268964
1-(2-tert-butylpyrimidin-5-yl)-3-[(1-methylsulfanylcyclopropyl)methyl]urea
CID 119050388
2-[(6-chloro-3-pyridinyl)amino]ethanol
CID 118956304
5-bromo-N-[(1-methylsulfanylcyclohexyl)methyl]pyridin-2-amine
CID 114117145
6-chloro-N-trimethylsilylpyridin-3-amine
CID 134860798
3,5-dimethoxy-N-[(1-methylsulfanylcyclobutyl)methyl]aniline
CID 114269724
5-[(1-methylsulfanylcyclopropyl)methylamino]-2-(trifluoromethyl)benzonitrile
CID 107269026
5-chloro-N-[(1-methylsulfanylcyclobutyl)methyl]pyrazine-2-carboxamide
CID 107329698

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[(1-methylsulfanylcyclopropyl)methyl]pyridin-3-amine?
The IUPAC name of 6-chloro-N-[(1-methylsulfanylcyclopropyl)methyl]pyridin-3-amine (CID 130506214) is 6-chloro-N-[(1-methylsulfanylcyclopropyl)methyl]pyridin-3-amine.
What is the SMILES notation for 6-chloro-N-[(1-methylsulfanylcyclopropyl)methyl]pyridin-3-amine?
The canonical SMILES for 6-chloro-N-[(1-methylsulfanylcyclopropyl)methyl]pyridin-3-amine is CSC1(CNc2ccc(Cl)nc2)CC1.
What is the InChIKey of 6-chloro-N-[(1-methylsulfanylcyclopropyl)methyl]pyridin-3-amine?
The InChIKey is ZMYSCRWDETVVDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2S/c1-14-10(4-5-10)7-13-8-2-3-9(11)12-6-8/h2-3,6,13H,4-5,7H2,1H3.
What are the key properties of 6-chloro-N-[(1-methylsulfanylcyclopropyl)methyl]pyridin-3-amine?
6-chloro-N-[(1-methylsulfanylcyclopropyl)methyl]pyridin-3-amine has a molecular weight of 228.75 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[(1-methylsulfanylcyclopropyl)methyl]pyridin-3-amine is sourced from PubChem (CID 130506214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).