N-(oxolan-2-ylmethyl)-2-pyrazin-2-ylsulfanylpropan-1-amine

C12H19N3OS — CID 55248517

IUPACN-(oxolan-2-ylmethyl)-2-pyrazin-2-ylsulfanylpropan-1-amine
SMILESCC(CNCC1CCCO1)Sc1cnccn1
InChIInChI=1S/C12H19N3OS/c1-10(17-12-9-13-4-5-15-12)7-14-8-11-3-2-6-16-11/h4-5,9-11,14H,2-3,6-8H2,1H3
InChIKeyDCXABMHDHKYFQI-UHFFFAOYSA-N
MW253.37 g/mol
LogP1.73
Rot. Bonds6

About N-(oxolan-2-ylmethyl)-2-pyrazin-2-ylsulfanylpropan-1-amine

N-(oxolan-2-ylmethyl)-2-pyrazin-2-ylsulfanylpropan-1-amine (PubChem CID 55248517) has the molecular formula C12H19N3OS and a molecular weight of 253.37 g/mol. Its IUPAC name is N-(oxolan-2-ylmethyl)-2-pyrazin-2-ylsulfanylpropan-1-amine.

Molecular Properties

Compound NameN-(oxolan-2-ylmethyl)-2-pyrazin-2-ylsulfanylpropan-1-amine
PubChem CID55248517
Molecular FormulaC12H19N3OS
Molecular Weight253.37 g/mol
Exact Mass253.12
IUPAC NameN-(oxolan-2-ylmethyl)-2-pyrazin-2-ylsulfanylpropan-1-amine
SMILESCC(CNCC1CCCO1)Sc1cnccn1
InChIInChI=1S/C12H19N3OS/c1-10(17-12-9-13-4-5-15-12)7-14-8-11-3-2-6-16-11/h4-5,9-11,14H,2-3,6-8H2,1H3
InChIKeyDCXABMHDHKYFQI-UHFFFAOYSA-N
XLogP1.73
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(oxolan-2-ylmethyl)-2-pyrazin-2-ylsulfanylpropan-1-amine?
The IUPAC name of N-(oxolan-2-ylmethyl)-2-pyrazin-2-ylsulfanylpropan-1-amine (CID 55248517) is N-(oxolan-2-ylmethyl)-2-pyrazin-2-ylsulfanylpropan-1-amine.
What is the SMILES notation for N-(oxolan-2-ylmethyl)-2-pyrazin-2-ylsulfanylpropan-1-amine?
The canonical SMILES for N-(oxolan-2-ylmethyl)-2-pyrazin-2-ylsulfanylpropan-1-amine is CC(CNCC1CCCO1)Sc1cnccn1.
What is the InChIKey of N-(oxolan-2-ylmethyl)-2-pyrazin-2-ylsulfanylpropan-1-amine?
The InChIKey is DCXABMHDHKYFQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3OS/c1-10(17-12-9-13-4-5-15-12)7-14-8-11-3-2-6-16-11/h4-5,9-11,14H,2-3,6-8H2,1H3.
What are the key properties of N-(oxolan-2-ylmethyl)-2-pyrazin-2-ylsulfanylpropan-1-amine?
N-(oxolan-2-ylmethyl)-2-pyrazin-2-ylsulfanylpropan-1-amine has a molecular weight of 253.37 g/mol, XLogP of 1.73, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-2-ylmethyl)-2-pyrazin-2-ylsulfanylpropan-1-amine is sourced from PubChem (CID 55248517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).