1-[2-(ethylsulfanylmethyl)-1H-imidazol-5-yl]-N-methylmethanamine

C8H15N3S — CID 65129902

IUPAC1-[2-(ethylsulfanylmethyl)-1H-imidazol-5-yl]-N-methylmethanamine
SMILESCCSCc1ncc(CNC)[nH]1
InChIInChI=1S/C8H15N3S/c1-3-12-6-8-10-5-7(11-8)4-9-2/h5,9H,3-4,6H2,1-2H3,(H,10,11)
InChIKeyKJDOMBWDIWYEEX-UHFFFAOYSA-N
MW185.30 g/mol
LogP1.38
Rot. Bonds5

About 1-[2-(ethylsulfanylmethyl)-1H-imidazol-5-yl]-N-methylmethanamine

1-[2-(ethylsulfanylmethyl)-1H-imidazol-5-yl]-N-methylmethanamine (PubChem CID 65129902) has the molecular formula C8H15N3S and a molecular weight of 185.30 g/mol. Its IUPAC name is 1-[2-(ethylsulfanylmethyl)-1H-imidazol-5-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-(ethylsulfanylmethyl)-1H-imidazol-5-yl]-N-methylmethanamine
PubChem CID65129902
Molecular FormulaC8H15N3S
Molecular Weight185.30 g/mol
Exact Mass185.10
IUPAC Name1-[2-(ethylsulfanylmethyl)-1H-imidazol-5-yl]-N-methylmethanamine
SMILESCCSCc1ncc(CNC)[nH]1
InChIInChI=1S/C8H15N3S/c1-3-12-6-8-10-5-7(11-8)4-9-2/h5,9H,3-4,6H2,1-2H3,(H,10,11)
InChIKeyKJDOMBWDIWYEEX-UHFFFAOYSA-N
XLogP1.38
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.30
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(ethylsulfanylmethyl)-1H-imidazol-5-yl]-N-methylmethanamine?
The IUPAC name of 1-[2-(ethylsulfanylmethyl)-1H-imidazol-5-yl]-N-methylmethanamine (CID 65129902) is 1-[2-(ethylsulfanylmethyl)-1H-imidazol-5-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-(ethylsulfanylmethyl)-1H-imidazol-5-yl]-N-methylmethanamine?
The canonical SMILES for 1-[2-(ethylsulfanylmethyl)-1H-imidazol-5-yl]-N-methylmethanamine is CCSCc1ncc(CNC)[nH]1.
What is the InChIKey of 1-[2-(ethylsulfanylmethyl)-1H-imidazol-5-yl]-N-methylmethanamine?
The InChIKey is KJDOMBWDIWYEEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3S/c1-3-12-6-8-10-5-7(11-8)4-9-2/h5,9H,3-4,6H2,1-2H3,(H,10,11).
What are the key properties of 1-[2-(ethylsulfanylmethyl)-1H-imidazol-5-yl]-N-methylmethanamine?
1-[2-(ethylsulfanylmethyl)-1H-imidazol-5-yl]-N-methylmethanamine has a molecular weight of 185.30 g/mol, XLogP of 1.38, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(ethylsulfanylmethyl)-1H-imidazol-5-yl]-N-methylmethanamine is sourced from PubChem (CID 65129902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).