N-(3-pyrazin-2-ylsulfanylpropyl)cyclopentanamine

C12H19N3S — CID 63381214

IUPACN-(3-pyrazin-2-ylsulfanylpropyl)cyclopentanamine
SMILESc1cnc(SCCCNC2CCCC2)cn1
InChIInChI=1S/C12H19N3S/c1-2-5-11(4-1)14-6-3-9-16-12-10-13-7-8-15-12/h7-8,10-11,14H,1-6,9H2
InChIKeyGEJXDNMITBZHJA-UHFFFAOYSA-N
MW237.37 g/mol
LogP2.49
Rot. Bonds6

About N-(3-pyrazin-2-ylsulfanylpropyl)cyclopentanamine

N-(3-pyrazin-2-ylsulfanylpropyl)cyclopentanamine (PubChem CID 63381214) has the molecular formula C12H19N3S and a molecular weight of 237.37 g/mol. Its IUPAC name is N-(3-pyrazin-2-ylsulfanylpropyl)cyclopentanamine.

Molecular Properties

Compound NameN-(3-pyrazin-2-ylsulfanylpropyl)cyclopentanamine
PubChem CID63381214
Molecular FormulaC12H19N3S
Molecular Weight237.37 g/mol
Exact Mass237.13
IUPAC NameN-(3-pyrazin-2-ylsulfanylpropyl)cyclopentanamine
SMILESc1cnc(SCCCNC2CCCC2)cn1
InChIInChI=1S/C12H19N3S/c1-2-5-11(4-1)14-6-3-9-16-12-10-13-7-8-15-12/h7-8,10-11,14H,1-6,9H2
InChIKeyGEJXDNMITBZHJA-UHFFFAOYSA-N
XLogP2.49
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.37
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-pyrazin-2-ylsulfanylpropyl)cyclopentanamine?
The IUPAC name of N-(3-pyrazin-2-ylsulfanylpropyl)cyclopentanamine (CID 63381214) is N-(3-pyrazin-2-ylsulfanylpropyl)cyclopentanamine.
What is the SMILES notation for N-(3-pyrazin-2-ylsulfanylpropyl)cyclopentanamine?
The canonical SMILES for N-(3-pyrazin-2-ylsulfanylpropyl)cyclopentanamine is c1cnc(SCCCNC2CCCC2)cn1.
What is the InChIKey of N-(3-pyrazin-2-ylsulfanylpropyl)cyclopentanamine?
The InChIKey is GEJXDNMITBZHJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3S/c1-2-5-11(4-1)14-6-3-9-16-12-10-13-7-8-15-12/h7-8,10-11,14H,1-6,9H2.
What are the key properties of N-(3-pyrazin-2-ylsulfanylpropyl)cyclopentanamine?
N-(3-pyrazin-2-ylsulfanylpropyl)cyclopentanamine has a molecular weight of 237.37 g/mol, XLogP of 2.49, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-pyrazin-2-ylsulfanylpropyl)cyclopentanamine is sourced from PubChem (CID 63381214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).