N-(oxolan-3-ylmethyl)-2-pyrazin-2-ylsulfanylethanamine

C11H17N3OS — CID 63381591

IUPACN-(oxolan-3-ylmethyl)-2-pyrazin-2-ylsulfanylethanamine
SMILESc1cnc(SCCNCC2CCOC2)cn1
InChIInChI=1S/C11H17N3OS/c1-5-15-9-10(1)7-13-4-6-16-11-8-12-2-3-14-11/h2-3,8,10,13H,1,4-7,9H2
InChIKeyCVBNTCDUZWWTIF-UHFFFAOYSA-N
MW239.34 g/mol
LogP1.19
Rot. Bonds6

About N-(oxolan-3-ylmethyl)-2-pyrazin-2-ylsulfanylethanamine

N-(oxolan-3-ylmethyl)-2-pyrazin-2-ylsulfanylethanamine (PubChem CID 63381591) has the molecular formula C11H17N3OS and a molecular weight of 239.34 g/mol. Its IUPAC name is N-(oxolan-3-ylmethyl)-2-pyrazin-2-ylsulfanylethanamine.

Molecular Properties

Compound NameN-(oxolan-3-ylmethyl)-2-pyrazin-2-ylsulfanylethanamine
PubChem CID63381591
Molecular FormulaC11H17N3OS
Molecular Weight239.34 g/mol
Exact Mass239.11
IUPAC NameN-(oxolan-3-ylmethyl)-2-pyrazin-2-ylsulfanylethanamine
SMILESc1cnc(SCCNCC2CCOC2)cn1
InChIInChI=1S/C11H17N3OS/c1-5-15-9-10(1)7-13-4-6-16-11-8-12-2-3-14-11/h2-3,8,10,13H,1,4-7,9H2
InChIKeyCVBNTCDUZWWTIF-UHFFFAOYSA-N
XLogP1.19
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(cyclopentylmethyl)-2-pyrazin-2-ylsulfanylethanamine
CID 63381588
2-(2-fluorophenyl)sulfanyl-N-(oxolan-3-ylmethyl)ethanamine
CID 55092520
N-(oxolan-3-ylmethyl)-2-quinazolin-4-ylsulfanylethanamine
CID 62577012
N-(oxolan-3-ylmethyl)-2-propylsulfanylethanamine
CID 62579243
N-(oxolan-3-ylmethyl)-2-(1,3-thiazol-4-yl)ethanamine
CID 63830252
2-(oxan-4-ylmethoxy)-N-(oxolan-3-ylmethyl)ethanamine
CID 62582727
1-(oxolan-3-yl)-N-(pyrimidin-4-ylmethyl)methanamine
CID 62748187
N-(oxolan-3-ylmethyl)propan-1-amine
CID 22355248
N-methyl-2-(oxolan-3-yl)-1-pyrazin-2-ylethanamine
CID 103986939
N-(oxolan-3-ylmethyl)-2-(thiophen-3-ylmethylsulfanyl)ethanamine
CID 115887244
2-methyl-4-(oxolan-3-ylmethylamino)butan-2-ol
CID 79360440
N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-(oxolan-3-yl)methanamine
CID 106369698

Frequently Asked Questions

What is the IUPAC name of N-(oxolan-3-ylmethyl)-2-pyrazin-2-ylsulfanylethanamine?
The IUPAC name of N-(oxolan-3-ylmethyl)-2-pyrazin-2-ylsulfanylethanamine (CID 63381591) is N-(oxolan-3-ylmethyl)-2-pyrazin-2-ylsulfanylethanamine.
What is the SMILES notation for N-(oxolan-3-ylmethyl)-2-pyrazin-2-ylsulfanylethanamine?
The canonical SMILES for N-(oxolan-3-ylmethyl)-2-pyrazin-2-ylsulfanylethanamine is c1cnc(SCCNCC2CCOC2)cn1.
What is the InChIKey of N-(oxolan-3-ylmethyl)-2-pyrazin-2-ylsulfanylethanamine?
The InChIKey is CVBNTCDUZWWTIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3OS/c1-5-15-9-10(1)7-13-4-6-16-11-8-12-2-3-14-11/h2-3,8,10,13H,1,4-7,9H2.
What are the key properties of N-(oxolan-3-ylmethyl)-2-pyrazin-2-ylsulfanylethanamine?
N-(oxolan-3-ylmethyl)-2-pyrazin-2-ylsulfanylethanamine has a molecular weight of 239.34 g/mol, XLogP of 1.19, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-3-ylmethyl)-2-pyrazin-2-ylsulfanylethanamine is sourced from PubChem (CID 63381591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).