N-[2-(cyclopropylmethylsulfanyl)ethyl]-1-pyrazin-2-ylethanamine

C12H19N3S — CID 115729270

IUPACN-[2-(cyclopropylmethylsulfanyl)ethyl]-1-pyrazin-2-ylethanamine
SMILESCC(NCCSCC1CC1)c1cnccn1
InChIInChI=1S/C12H19N3S/c1-10(12-8-13-4-5-15-12)14-6-7-16-9-11-2-3-11/h4-5,8,10-11,14H,2-3,6-7,9H2,1H3
InChIKeyHJZAYKMIIFLVCL-UHFFFAOYSA-N
MW237.37 g/mol
LogP2.27
Rot. Bonds7

About N-[2-(cyclopropylmethylsulfanyl)ethyl]-1-pyrazin-2-ylethanamine

N-[2-(cyclopropylmethylsulfanyl)ethyl]-1-pyrazin-2-ylethanamine (PubChem CID 115729270) has the molecular formula C12H19N3S and a molecular weight of 237.37 g/mol. Its IUPAC name is N-[2-(cyclopropylmethylsulfanyl)ethyl]-1-pyrazin-2-ylethanamine.

Molecular Properties

Compound NameN-[2-(cyclopropylmethylsulfanyl)ethyl]-1-pyrazin-2-ylethanamine
PubChem CID115729270
Molecular FormulaC12H19N3S
Molecular Weight237.37 g/mol
Exact Mass237.13
IUPAC NameN-[2-(cyclopropylmethylsulfanyl)ethyl]-1-pyrazin-2-ylethanamine
SMILESCC(NCCSCC1CC1)c1cnccn1
InChIInChI=1S/C12H19N3S/c1-10(12-8-13-4-5-15-12)14-6-7-16-9-11-2-3-11/h4-5,8,10-11,14H,2-3,6-7,9H2,1H3
InChIKeyHJZAYKMIIFLVCL-UHFFFAOYSA-N
XLogP2.27
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.37
LogP ≤ 52.27
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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Related Compounds

N-(2-cyclobutylethyl)-1-pyrazin-2-ylethanamine
CID 115893473
1-pyrazin-2-yl-N-(thiolan-3-ylmethyl)ethanamine
CID 107295216
5-methyl-N-(1-pyrazin-2-ylethyl)hexan-1-amine
CID 81338055
3-methylsulfinyl-N-(1-pyrazin-2-ylethyl)butan-1-amine
CID 115894563
4,4-dimethyl-N-(1-pyrazin-2-ylethyl)pentan-1-amine
CID 115891455
N-[2-(cyclopropylmethylsulfanyl)ethyl]-1-(3-methylthiophen-2-yl)ethanamine
CID 115729271
N-(piperidin-2-ylmethyl)-1-pyrazin-2-ylethanamine
CID 71637820
4,4,4-trifluoro-N-(1-pyrazin-2-ylethyl)butan-1-amine
CID 81343203
4,4-dimethyl-1-[(1-pyrazin-2-ylethylamino)methyl]cyclohexan-1-ol
CID 65115500
2-cyclopropyl-N-propyl-1-pyrazin-2-ylpropan-1-amine
CID 115860641
1-[(1-pyrazin-2-ylethylamino)methyl]cyclobutan-1-ol
CID 115718531
1,1-difluoro-3-(1-pyrazin-2-ylethylamino)propan-2-ol
CID 103787955

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopropylmethylsulfanyl)ethyl]-1-pyrazin-2-ylethanamine?
The IUPAC name of N-[2-(cyclopropylmethylsulfanyl)ethyl]-1-pyrazin-2-ylethanamine (CID 115729270) is N-[2-(cyclopropylmethylsulfanyl)ethyl]-1-pyrazin-2-ylethanamine.
What is the SMILES notation for N-[2-(cyclopropylmethylsulfanyl)ethyl]-1-pyrazin-2-ylethanamine?
The canonical SMILES for N-[2-(cyclopropylmethylsulfanyl)ethyl]-1-pyrazin-2-ylethanamine is CC(NCCSCC1CC1)c1cnccn1.
What is the InChIKey of N-[2-(cyclopropylmethylsulfanyl)ethyl]-1-pyrazin-2-ylethanamine?
The InChIKey is HJZAYKMIIFLVCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3S/c1-10(12-8-13-4-5-15-12)14-6-7-16-9-11-2-3-11/h4-5,8,10-11,14H,2-3,6-7,9H2,1H3.
What are the key properties of N-[2-(cyclopropylmethylsulfanyl)ethyl]-1-pyrazin-2-ylethanamine?
N-[2-(cyclopropylmethylsulfanyl)ethyl]-1-pyrazin-2-ylethanamine has a molecular weight of 237.37 g/mol, XLogP of 2.27, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclopropylmethylsulfanyl)ethyl]-1-pyrazin-2-ylethanamine is sourced from PubChem (CID 115729270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).