2-(1-methylimidazol-2-yl)sulfanylethanamine

C6H11N3S — CID 4962504

IUPAC2-(1-methylimidazol-2-yl)sulfanylethanamine
SMILESCn1ccnc1SCCN
InChIInChI=1S/C6H11N3S/c1-9-4-3-8-6(9)10-5-2-7/h3-4H,2,5,7H2,1H3
InChIKeyVEUQTALDNNAJHS-UHFFFAOYSA-N
MW157.24 g/mol
LogP0.47
Rot. Bonds3

About 2-(1-methylimidazol-2-yl)sulfanylethanamine

2-(1-methylimidazol-2-yl)sulfanylethanamine (PubChem CID 4962504) has the molecular formula C6H11N3S and a molecular weight of 157.24 g/mol. Its IUPAC name is 2-(1-methylimidazol-2-yl)sulfanylethanamine.

Molecular Properties

Compound Name2-(1-methylimidazol-2-yl)sulfanylethanamine
PubChem CID4962504
Molecular FormulaC6H11N3S
Molecular Weight157.24 g/mol
Exact Mass157.07
IUPAC Name2-(1-methylimidazol-2-yl)sulfanylethanamine
SMILESCn1ccnc1SCCN
InChIInChI=1S/C6H11N3S/c1-9-4-3-8-6(9)10-5-2-7/h3-4H,2,5,7H2,1H3
InChIKeyVEUQTALDNNAJHS-UHFFFAOYSA-N
XLogP0.47
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.24
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methylimidazol-2-yl)sulfanylethanamine?
The IUPAC name of 2-(1-methylimidazol-2-yl)sulfanylethanamine (CID 4962504) is 2-(1-methylimidazol-2-yl)sulfanylethanamine.
What is the SMILES notation for 2-(1-methylimidazol-2-yl)sulfanylethanamine?
The canonical SMILES for 2-(1-methylimidazol-2-yl)sulfanylethanamine is Cn1ccnc1SCCN.
What is the InChIKey of 2-(1-methylimidazol-2-yl)sulfanylethanamine?
The InChIKey is VEUQTALDNNAJHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3S/c1-9-4-3-8-6(9)10-5-2-7/h3-4H,2,5,7H2,1H3.
What are the key properties of 2-(1-methylimidazol-2-yl)sulfanylethanamine?
2-(1-methylimidazol-2-yl)sulfanylethanamine has a molecular weight of 157.24 g/mol, XLogP of 0.47, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylimidazol-2-yl)sulfanylethanamine is sourced from PubChem (CID 4962504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).