3-N-(2-prop-2-enylsulfanylethyl)pyridine-2,3-diamine

C10H15N3S — CID 106426053

IUPAC3-N-(2-prop-2-enylsulfanylethyl)pyridine-2,3-diamine
SMILESC=CCSCCNc1cccnc1N
InChIInChI=1S/C10H15N3S/c1-2-7-14-8-6-12-9-4-3-5-13-10(9)11/h2-5,12H,1,6-8H2,(H2,11,13)
InChIKeyNOERWLIRDQPEAZ-UHFFFAOYSA-N
MW209.32 g/mol
LogP1.99
Rot. Bonds6

About 3-N-(2-prop-2-enylsulfanylethyl)pyridine-2,3-diamine

3-N-(2-prop-2-enylsulfanylethyl)pyridine-2,3-diamine (PubChem CID 106426053) has the molecular formula C10H15N3S and a molecular weight of 209.32 g/mol. Its IUPAC name is 3-N-(2-prop-2-enylsulfanylethyl)pyridine-2,3-diamine.

Molecular Properties

Compound Name3-N-(2-prop-2-enylsulfanylethyl)pyridine-2,3-diamine
PubChem CID106426053
Molecular FormulaC10H15N3S
Molecular Weight209.32 g/mol
Exact Mass209.10
IUPAC Name3-N-(2-prop-2-enylsulfanylethyl)pyridine-2,3-diamine
SMILESC=CCSCCNc1cccnc1N
InChIInChI=1S/C10H15N3S/c1-2-7-14-8-6-12-9-4-3-5-13-10(9)11/h2-5,12H,1,6-8H2,(H2,11,13)
InChIKeyNOERWLIRDQPEAZ-UHFFFAOYSA-N
XLogP1.99
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.32
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-N-prop-2-enylpyridine-2,3-diamine
CID 104540292
3-N-(2-but-3-enoxyethyl)pyridine-2,3-diamine
CID 106394504
3-amino-N-(2-prop-2-enylsulfanylethyl)pyridine-2-carboxamide
CID 106427426
3-ethoxy-N-(2-prop-2-enylsulfanylethyl)pyridin-2-amine
CID 106430205
3-methoxy-N-(2-prop-2-enylsulfanylethyl)pyridin-2-amine
CID 106430241
3-N-[2-(dimethylamino)ethyl]pyridine-2,3-diamine
CID 91315804
3-N-(2,2-difluoroethyl)pyridine-2,3-diamine
CID 104540629
3-N-(2-methylsulfonylethyl)pyridine-2,3-diamine
CID 104540004
2-N-(2-prop-2-enylsulfanylethyl)-1,3-thiazole-2,5-diamine
CID 106426054
3-N-(4,4,4-trifluorobutyl)pyridine-2,3-diamine
CID 104540631
3-N-(2-propan-2-yloxyethyl)pyridine-2,3-diamine
CID 104758771
3-fluoro-N-(2-prop-2-enylsulfanylethyl)pyridine-2-sulfonamide
CID 106427299

Frequently Asked Questions

What is the IUPAC name of 3-N-(2-prop-2-enylsulfanylethyl)pyridine-2,3-diamine?
The IUPAC name of 3-N-(2-prop-2-enylsulfanylethyl)pyridine-2,3-diamine (CID 106426053) is 3-N-(2-prop-2-enylsulfanylethyl)pyridine-2,3-diamine.
What is the SMILES notation for 3-N-(2-prop-2-enylsulfanylethyl)pyridine-2,3-diamine?
The canonical SMILES for 3-N-(2-prop-2-enylsulfanylethyl)pyridine-2,3-diamine is C=CCSCCNc1cccnc1N.
What is the InChIKey of 3-N-(2-prop-2-enylsulfanylethyl)pyridine-2,3-diamine?
The InChIKey is NOERWLIRDQPEAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3S/c1-2-7-14-8-6-12-9-4-3-5-13-10(9)11/h2-5,12H,1,6-8H2,(H2,11,13).
What are the key properties of 3-N-(2-prop-2-enylsulfanylethyl)pyridine-2,3-diamine?
3-N-(2-prop-2-enylsulfanylethyl)pyridine-2,3-diamine has a molecular weight of 209.32 g/mol, XLogP of 1.99, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(2-prop-2-enylsulfanylethyl)pyridine-2,3-diamine is sourced from PubChem (CID 106426053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).