1-(1H-imidazol-2-ylsulfanyl)-3-methoxy-N-methylpropan-2-amine

C8H15N3OS — CID 107784074

IUPAC1-(1H-imidazol-2-ylsulfanyl)-3-methoxy-N-methylpropan-2-amine
SMILESCNC(COC)CSc1ncc[nH]1
InChIInChI=1S/C8H15N3OS/c1-9-7(5-12-2)6-13-8-10-3-4-11-8/h3-4,7,9H,5-6H2,1-2H3,(H,10,11)
InChIKeyJHZJAWZAXWHIAI-UHFFFAOYSA-N
MW201.29 g/mol
LogP0.74
Rot. Bonds6

About 1-(1H-imidazol-2-ylsulfanyl)-3-methoxy-N-methylpropan-2-amine

1-(1H-imidazol-2-ylsulfanyl)-3-methoxy-N-methylpropan-2-amine (PubChem CID 107784074) has the molecular formula C8H15N3OS and a molecular weight of 201.29 g/mol. Its IUPAC name is 1-(1H-imidazol-2-ylsulfanyl)-3-methoxy-N-methylpropan-2-amine.

Molecular Properties

Compound Name1-(1H-imidazol-2-ylsulfanyl)-3-methoxy-N-methylpropan-2-amine
PubChem CID107784074
Molecular FormulaC8H15N3OS
Molecular Weight201.29 g/mol
Exact Mass201.09
IUPAC Name1-(1H-imidazol-2-ylsulfanyl)-3-methoxy-N-methylpropan-2-amine
SMILESCNC(COC)CSc1ncc[nH]1
InChIInChI=1S/C8H15N3OS/c1-9-7(5-12-2)6-13-8-10-3-4-11-8/h3-4,7,9H,5-6H2,1-2H3,(H,10,11)
InChIKeyJHZJAWZAXWHIAI-UHFFFAOYSA-N
XLogP0.74
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.29
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1H-imidazol-2-ylsulfanyl)-3-(2-methoxyethoxy)propan-2-ol
CID 107780891
methyl 2-amino-3-(1H-imidazol-2-ylsulfanyl)propanoate
CID 107781808
2-(1H-imidazol-2-ylsulfanyl)-N-methyl-1-(4-methylphenyl)ethanamine
CID 107783873
1-(4-fluorophenyl)sulfanyl-3-methoxy-N-methylpropan-2-amine
CID 79574558
4-(1H-imidazol-2-ylsulfanyl)-N-(2-methoxyethyl)butan-1-amine
CID 107782443
1-(1H-imidazol-2-ylsulfanyl)-N-propylpropan-2-amine
CID 107783836
methyl 3-(1H-imidazol-2-ylsulfanyl)-2-(propylamino)propanoate
CID 107781960
2-amino-3-(1H-imidazol-2-ylsulfanyl)propan-1-ol
CID 107784621
6-(1H-imidazol-2-ylsulfanyl)-N-methylhexan-2-amine
CID 107783913
3-(1H-imidazol-2-ylsulfanyl)-N-methylpropan-1-amine
CID 107781358
1-methoxy-N-methyl-3-thiophen-2-ylsulfanylpropan-2-amine
CID 107511242
1-methoxy-N-methyl-3-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]propan-2-amine
CID 107511444

Frequently Asked Questions

What is the IUPAC name of 1-(1H-imidazol-2-ylsulfanyl)-3-methoxy-N-methylpropan-2-amine?
The IUPAC name of 1-(1H-imidazol-2-ylsulfanyl)-3-methoxy-N-methylpropan-2-amine (CID 107784074) is 1-(1H-imidazol-2-ylsulfanyl)-3-methoxy-N-methylpropan-2-amine.
What is the SMILES notation for 1-(1H-imidazol-2-ylsulfanyl)-3-methoxy-N-methylpropan-2-amine?
The canonical SMILES for 1-(1H-imidazol-2-ylsulfanyl)-3-methoxy-N-methylpropan-2-amine is CNC(COC)CSc1ncc[nH]1.
What is the InChIKey of 1-(1H-imidazol-2-ylsulfanyl)-3-methoxy-N-methylpropan-2-amine?
The InChIKey is JHZJAWZAXWHIAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3OS/c1-9-7(5-12-2)6-13-8-10-3-4-11-8/h3-4,7,9H,5-6H2,1-2H3,(H,10,11).
What are the key properties of 1-(1H-imidazol-2-ylsulfanyl)-3-methoxy-N-methylpropan-2-amine?
1-(1H-imidazol-2-ylsulfanyl)-3-methoxy-N-methylpropan-2-amine has a molecular weight of 201.29 g/mol, XLogP of 0.74, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-imidazol-2-ylsulfanyl)-3-methoxy-N-methylpropan-2-amine is sourced from PubChem (CID 107784074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).