5-[(3S)-3-amino-5-methylsulfanylpent-1-en-2-yl]-1,2-dihydropyridin-2-amine

C11H19N3S — CID 129016140

IUPAC5-[(3S)-3-amino-5-methylsulfanylpent-1-en-2-yl]-1,2-dihydropyridin-2-amine
SMILESC=C(C1=CNC(N)C=C1)[C@@H](N)CCSC
InChIInChI=1S/C11H19N3S/c1-8(10(12)5-6-15-2)9-3-4-11(13)14-7-9/h3-4,7,10-11,14H,1,5-6,12-13H2,2H3/t10-,11?/m0/s1
InChIKeyRHNVARAGAJKLSP-VUWPPUDQSA-N
MW225.36 g/mol
LogP0.95
Rot. Bonds5

About 5-[(3S)-3-amino-5-methylsulfanylpent-1-en-2-yl]-1,2-dihydropyridin-2-amine

5-[(3S)-3-amino-5-methylsulfanylpent-1-en-2-yl]-1,2-dihydropyridin-2-amine (PubChem CID 129016140) has the molecular formula C11H19N3S and a molecular weight of 225.36 g/mol. Its IUPAC name is 5-[(3S)-3-amino-5-methylsulfanylpent-1-en-2-yl]-1,2-dihydropyridin-2-amine.

Molecular Properties

Compound Name5-[(3S)-3-amino-5-methylsulfanylpent-1-en-2-yl]-1,2-dihydropyridin-2-amine
PubChem CID129016140
Molecular FormulaC11H19N3S
Molecular Weight225.36 g/mol
Exact Mass225.13
IUPAC Name5-[(3S)-3-amino-5-methylsulfanylpent-1-en-2-yl]-1,2-dihydropyridin-2-amine
SMILESC=C(C1=CNC(N)C=C1)[C@@H](N)CCSC
InChIInChI=1S/C11H19N3S/c1-8(10(12)5-6-15-2)9-3-4-11(13)14-7-9/h3-4,7,10-11,14H,1,5-6,12-13H2,2H3/t10-,11?/m0/s1
InChIKeyRHNVARAGAJKLSP-VUWPPUDQSA-N
XLogP0.95
TPSA64.07 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.36
LogP ≤ 50.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(3S)-3-amino-5-methylsulfanylpent-1-en-2-yl]-1,2-dihydropyridin-2-amine?
The IUPAC name of 5-[(3S)-3-amino-5-methylsulfanylpent-1-en-2-yl]-1,2-dihydropyridin-2-amine (CID 129016140) is 5-[(3S)-3-amino-5-methylsulfanylpent-1-en-2-yl]-1,2-dihydropyridin-2-amine.
What is the SMILES notation for 5-[(3S)-3-amino-5-methylsulfanylpent-1-en-2-yl]-1,2-dihydropyridin-2-amine?
The canonical SMILES for 5-[(3S)-3-amino-5-methylsulfanylpent-1-en-2-yl]-1,2-dihydropyridin-2-amine is C=C(C1=CNC(N)C=C1)[C@@H](N)CCSC.
What is the InChIKey of 5-[(3S)-3-amino-5-methylsulfanylpent-1-en-2-yl]-1,2-dihydropyridin-2-amine?
The InChIKey is RHNVARAGAJKLSP-VUWPPUDQSA-N. The full InChI is InChI=1S/C11H19N3S/c1-8(10(12)5-6-15-2)9-3-4-11(13)14-7-9/h3-4,7,10-11,14H,1,5-6,12-13H2,2H3/t10-,11?/m0/s1.
What are the key properties of 5-[(3S)-3-amino-5-methylsulfanylpent-1-en-2-yl]-1,2-dihydropyridin-2-amine?
5-[(3S)-3-amino-5-methylsulfanylpent-1-en-2-yl]-1,2-dihydropyridin-2-amine has a molecular weight of 225.36 g/mol, XLogP of 0.95, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3S)-3-amino-5-methylsulfanylpent-1-en-2-yl]-1,2-dihydropyridin-2-amine is sourced from PubChem (CID 129016140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).