N-ethyl-2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-(oxolan-3-yl)ethanamine

C11H20N4OS — CID 104756053

IUPACN-ethyl-2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-(oxolan-3-yl)ethanamine
SMILESCCNC(CSc1ncnn1C)C1CCOC1
InChIInChI=1S/C11H20N4OS/c1-3-12-10(9-4-5-16-6-9)7-17-11-13-8-14-15(11)2/h8-10,12H,3-7H2,1-2H3
InChIKeyBGDJSLFITGHORU-UHFFFAOYSA-N
MW256.37 g/mol
LogP0.92
Rot. Bonds6

About N-ethyl-2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-(oxolan-3-yl)ethanamine

N-ethyl-2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-(oxolan-3-yl)ethanamine (PubChem CID 104756053) has the molecular formula C11H20N4OS and a molecular weight of 256.37 g/mol. Its IUPAC name is N-ethyl-2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-(oxolan-3-yl)ethanamine.

Molecular Properties

Compound NameN-ethyl-2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-(oxolan-3-yl)ethanamine
PubChem CID104756053
Molecular FormulaC11H20N4OS
Molecular Weight256.37 g/mol
Exact Mass256.14
IUPAC NameN-ethyl-2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-(oxolan-3-yl)ethanamine
SMILESCCNC(CSc1ncnn1C)C1CCOC1
InChIInChI=1S/C11H20N4OS/c1-3-12-10(9-4-5-16-6-9)7-17-11-13-8-14-15(11)2/h8-10,12H,3-7H2,1-2H3
InChIKeyBGDJSLFITGHORU-UHFFFAOYSA-N
XLogP0.92
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(4-methyl-4H-1,2,4-triazol-3-yl)thio]-N-(tetrahydrofuran-3-ylmethyl)ethanamine
CID 62576410
N-(oxolan-3-ylmethyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanamine
CID 62578981
3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-propyloxan-4-amine
CID 64649336
N-ethyl-3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]oxan-4-amine
CID 64649724
4-ethoxy-N-[2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]butan-1-amine
CID 104604060
N-[2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]oxan-4-amine
CID 104604083
2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(oxolan-3-ylmethyl)ethanamine
CID 104604104
3-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-propyloxan-4-amine
CID 104604592
N-ethyl-3-methyl-1-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pentan-2-amine
CID 104604697
N-methyl-3-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]oxan-4-amine
CID 104604750
N-ethyl-3-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]oxan-4-amine
CID 104604758
N-methyl-2-(1-methyltetrazol-5-yl)sulfanyl-1-(oxolan-3-yl)ethanamine
CID 104755174

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-(oxolan-3-yl)ethanamine?
The IUPAC name of N-ethyl-2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-(oxolan-3-yl)ethanamine (CID 104756053) is N-ethyl-2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-(oxolan-3-yl)ethanamine.
What is the SMILES notation for N-ethyl-2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-(oxolan-3-yl)ethanamine?
The canonical SMILES for N-ethyl-2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-(oxolan-3-yl)ethanamine is CCNC(CSc1ncnn1C)C1CCOC1.
What is the InChIKey of N-ethyl-2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-(oxolan-3-yl)ethanamine?
The InChIKey is BGDJSLFITGHORU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4OS/c1-3-12-10(9-4-5-16-6-9)7-17-11-13-8-14-15(11)2/h8-10,12H,3-7H2,1-2H3.
What are the key properties of N-ethyl-2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-(oxolan-3-yl)ethanamine?
N-ethyl-2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-(oxolan-3-yl)ethanamine has a molecular weight of 256.37 g/mol, XLogP of 0.92, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-(oxolan-3-yl)ethanamine is sourced from PubChem (CID 104756053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).