N-(cyclopentylmethyl)-2-pyrazin-2-ylsulfanylethanamine

C12H19N3S — CID 63381588

IUPACN-(cyclopentylmethyl)-2-pyrazin-2-ylsulfanylethanamine
SMILESc1cnc(SCCNCC2CCCC2)cn1
InChIInChI=1S/C12H19N3S/c1-2-4-11(3-1)9-14-7-8-16-12-10-13-5-6-15-12/h5-6,10-11,14H,1-4,7-9H2
InChIKeyGJWZMJZFQCOHQI-UHFFFAOYSA-N
MW237.37 g/mol
LogP2.35
Rot. Bonds6

About N-(cyclopentylmethyl)-2-pyrazin-2-ylsulfanylethanamine

N-(cyclopentylmethyl)-2-pyrazin-2-ylsulfanylethanamine (PubChem CID 63381588) has the molecular formula C12H19N3S and a molecular weight of 237.37 g/mol. Its IUPAC name is N-(cyclopentylmethyl)-2-pyrazin-2-ylsulfanylethanamine.

Molecular Properties

Compound NameN-(cyclopentylmethyl)-2-pyrazin-2-ylsulfanylethanamine
PubChem CID63381588
Molecular FormulaC12H19N3S
Molecular Weight237.37 g/mol
Exact Mass237.13
IUPAC NameN-(cyclopentylmethyl)-2-pyrazin-2-ylsulfanylethanamine
SMILESc1cnc(SCCNCC2CCCC2)cn1
InChIInChI=1S/C12H19N3S/c1-2-4-11(3-1)9-14-7-8-16-12-10-13-5-6-15-12/h5-6,10-11,14H,1-4,7-9H2
InChIKeyGJWZMJZFQCOHQI-UHFFFAOYSA-N
XLogP2.35
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 ≤ 52.35
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-(cyclopentylmethyl)-2-pyrazin-2-ylsulfanylethanamine?
The IUPAC name of N-(cyclopentylmethyl)-2-pyrazin-2-ylsulfanylethanamine (CID 63381588) is N-(cyclopentylmethyl)-2-pyrazin-2-ylsulfanylethanamine.
What is the SMILES notation for N-(cyclopentylmethyl)-2-pyrazin-2-ylsulfanylethanamine?
The canonical SMILES for N-(cyclopentylmethyl)-2-pyrazin-2-ylsulfanylethanamine is c1cnc(SCCNCC2CCCC2)cn1.
What is the InChIKey of N-(cyclopentylmethyl)-2-pyrazin-2-ylsulfanylethanamine?
The InChIKey is GJWZMJZFQCOHQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3S/c1-2-4-11(3-1)9-14-7-8-16-12-10-13-5-6-15-12/h5-6,10-11,14H,1-4,7-9H2.
What are the key properties of N-(cyclopentylmethyl)-2-pyrazin-2-ylsulfanylethanamine?
N-(cyclopentylmethyl)-2-pyrazin-2-ylsulfanylethanamine has a molecular weight of 237.37 g/mol, XLogP of 2.35, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopentylmethyl)-2-pyrazin-2-ylsulfanylethanamine is sourced from PubChem (CID 63381588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).