2-methyl-N-(2H-triazol-4-ylmethyl)thiolan-3-amine

C8H14N4S — CID 131002911

IUPAC2-methyl-N-(2H-triazol-4-ylmethyl)thiolan-3-amine
SMILESCC1SCCC1NCc1cn[nH]n1
InChIInChI=1S/C8H14N4S/c1-6-8(2-3-13-6)9-4-7-5-10-12-11-7/h5-6,8-9H,2-4H2,1H3,(H,10,11,12)
InChIKeyAFOUWBODZWSETO-UHFFFAOYSA-N
MW198.29 g/mol
LogP0.79
Rot. Bonds3

About 2-methyl-N-(2H-triazol-4-ylmethyl)thiolan-3-amine

2-methyl-N-(2H-triazol-4-ylmethyl)thiolan-3-amine (PubChem CID 131002911) has the molecular formula C8H14N4S and a molecular weight of 198.29 g/mol. Its IUPAC name is 2-methyl-N-(2H-triazol-4-ylmethyl)thiolan-3-amine.

Molecular Properties

Compound Name2-methyl-N-(2H-triazol-4-ylmethyl)thiolan-3-amine
PubChem CID131002911
Molecular FormulaC8H14N4S
Molecular Weight198.29 g/mol
Exact Mass198.09
IUPAC Name2-methyl-N-(2H-triazol-4-ylmethyl)thiolan-3-amine
SMILESCC1SCCC1NCc1cn[nH]n1
InChIInChI=1S/C8H14N4S/c1-6-8(2-3-13-6)9-4-7-5-10-12-11-7/h5-6,8-9H,2-4H2,1H3,(H,10,11,12)
InChIKeyAFOUWBODZWSETO-UHFFFAOYSA-N
XLogP0.79
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.29
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2H-triazol-4-ylmethyl)thiolan-3-amine?
The IUPAC name of 2-methyl-N-(2H-triazol-4-ylmethyl)thiolan-3-amine (CID 131002911) is 2-methyl-N-(2H-triazol-4-ylmethyl)thiolan-3-amine.
What is the SMILES notation for 2-methyl-N-(2H-triazol-4-ylmethyl)thiolan-3-amine?
The canonical SMILES for 2-methyl-N-(2H-triazol-4-ylmethyl)thiolan-3-amine is CC1SCCC1NCc1cn[nH]n1.
What is the InChIKey of 2-methyl-N-(2H-triazol-4-ylmethyl)thiolan-3-amine?
The InChIKey is AFOUWBODZWSETO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4S/c1-6-8(2-3-13-6)9-4-7-5-10-12-11-7/h5-6,8-9H,2-4H2,1H3,(H,10,11,12).
What are the key properties of 2-methyl-N-(2H-triazol-4-ylmethyl)thiolan-3-amine?
2-methyl-N-(2H-triazol-4-ylmethyl)thiolan-3-amine has a molecular weight of 198.29 g/mol, XLogP of 0.79, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2H-triazol-4-ylmethyl)thiolan-3-amine is sourced from PubChem (CID 131002911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).