N-propyl-2-(pyrazin-2-ylsulfanylmethyl)prop-2-en-1-amine

C11H17N3S — CID 103068567

IUPACN-propyl-2-(pyrazin-2-ylsulfanylmethyl)prop-2-en-1-amine
SMILESC=C(CNCCC)CSc1cnccn1
InChIInChI=1S/C11H17N3S/c1-3-4-12-7-10(2)9-15-11-8-13-5-6-14-11/h5-6,8,12H,2-4,7,9H2,1H3
InChIKeyFBVUZTMLPQEGCG-UHFFFAOYSA-N
MW223.34 g/mol
LogP2.12
Rot. Bonds7

About N-propyl-2-(pyrazin-2-ylsulfanylmethyl)prop-2-en-1-amine

N-propyl-2-(pyrazin-2-ylsulfanylmethyl)prop-2-en-1-amine (PubChem CID 103068567) has the molecular formula C11H17N3S and a molecular weight of 223.34 g/mol. Its IUPAC name is N-propyl-2-(pyrazin-2-ylsulfanylmethyl)prop-2-en-1-amine.

Molecular Properties

Compound NameN-propyl-2-(pyrazin-2-ylsulfanylmethyl)prop-2-en-1-amine
PubChem CID103068567
Molecular FormulaC11H17N3S
Molecular Weight223.34 g/mol
Exact Mass223.11
IUPAC NameN-propyl-2-(pyrazin-2-ylsulfanylmethyl)prop-2-en-1-amine
SMILESC=C(CNCCC)CSc1cnccn1
InChIInChI=1S/C11H17N3S/c1-3-4-12-7-10(2)9-15-11-8-13-5-6-14-11/h5-6,8,12H,2-4,7,9H2,1H3
InChIKeyFBVUZTMLPQEGCG-UHFFFAOYSA-N
XLogP2.12
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.34
LogP ≤ 52.12
H-Bond Donors ≤ 51
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

N-methyl-2-(pyrazin-2-ylsulfanylmethyl)prop-2-en-1-amine
CID 103068568
2-(1,3-oxazol-2-ylsulfanylmethyl)-N-propylprop-2-en-1-amine
CID 106924246
2-[(5-methylpyrimidin-2-yl)sulfanylmethyl]-N-propylprop-2-en-1-amine
CID 103068433
2-[(4-methylpyrimidin-2-yl)sulfanylmethyl]-N-propylprop-2-en-1-amine
CID 103068452
3-(propylamino)-4-pyrazin-2-ylsulfanylbutan-1-ol
CID 64928338
N-(2-pyrazin-2-ylsulfanylethyl)prop-2-yn-1-amine
CID 63381263
N-propyl-1-pyrazin-2-ylsulfanylpentan-2-amine
CID 64625824
butyl 2-pyrazin-2-ylsulfanylacetate
CID 63380450
2-[(2-propan-2-ylimidazol-1-yl)methyl]-N-propylprop-2-en-1-amine
CID 103071844
N-[4-[2-(propylaminomethyl)prop-2-enylsulfanyl]phenyl]acetamide
CID 103068039
2-[(4-bromopyrazol-1-yl)methyl]-N-propylprop-2-en-1-amine
CID 103072043
N-(cyclopentylmethyl)-2-pyrazin-2-ylsulfanylethanamine
CID 63381588

Frequently Asked Questions

What is the IUPAC name of N-propyl-2-(pyrazin-2-ylsulfanylmethyl)prop-2-en-1-amine?
The IUPAC name of N-propyl-2-(pyrazin-2-ylsulfanylmethyl)prop-2-en-1-amine (CID 103068567) is N-propyl-2-(pyrazin-2-ylsulfanylmethyl)prop-2-en-1-amine.
What is the SMILES notation for N-propyl-2-(pyrazin-2-ylsulfanylmethyl)prop-2-en-1-amine?
The canonical SMILES for N-propyl-2-(pyrazin-2-ylsulfanylmethyl)prop-2-en-1-amine is C=C(CNCCC)CSc1cnccn1.
What is the InChIKey of N-propyl-2-(pyrazin-2-ylsulfanylmethyl)prop-2-en-1-amine?
The InChIKey is FBVUZTMLPQEGCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3S/c1-3-4-12-7-10(2)9-15-11-8-13-5-6-14-11/h5-6,8,12H,2-4,7,9H2,1H3.
What are the key properties of N-propyl-2-(pyrazin-2-ylsulfanylmethyl)prop-2-en-1-amine?
N-propyl-2-(pyrazin-2-ylsulfanylmethyl)prop-2-en-1-amine has a molecular weight of 223.34 g/mol, XLogP of 2.12, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-2-(pyrazin-2-ylsulfanylmethyl)prop-2-en-1-amine is sourced from PubChem (CID 103068567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).