1-(methylamino)-3-(1-methylimidazol-2-yl)sulfanylpropan-2-ol

C8H15N3OS — CID 43188087

IUPAC1-(methylamino)-3-(1-methylimidazol-2-yl)sulfanylpropan-2-ol
SMILESCNCC(O)CSc1nccn1C
InChIInChI=1S/C8H15N3OS/c1-9-5-7(12)6-13-8-10-3-4-11(8)2/h3-4,7,9,12H,5-6H2,1-2H3
InChIKeyCOQPOLUVNALALK-UHFFFAOYSA-N
MW201.29 g/mol
LogP0.09
Rot. Bonds5

About 1-(methylamino)-3-(1-methylimidazol-2-yl)sulfanylpropan-2-ol

1-(methylamino)-3-(1-methylimidazol-2-yl)sulfanylpropan-2-ol (PubChem CID 43188087) has the molecular formula C8H15N3OS and a molecular weight of 201.29 g/mol. Its IUPAC name is 1-(methylamino)-3-(1-methylimidazol-2-yl)sulfanylpropan-2-ol.

Molecular Properties

Compound Name1-(methylamino)-3-(1-methylimidazol-2-yl)sulfanylpropan-2-ol
PubChem CID43188087
Molecular FormulaC8H15N3OS
Molecular Weight201.29 g/mol
Exact Mass201.09
IUPAC Name1-(methylamino)-3-(1-methylimidazol-2-yl)sulfanylpropan-2-ol
SMILESCNCC(O)CSc1nccn1C
InChIInChI=1S/C8H15N3OS/c1-9-5-7(12)6-13-8-10-3-4-11(8)2/h3-4,7,9,12H,5-6H2,1-2H3
InChIKeyCOQPOLUVNALALK-UHFFFAOYSA-N
XLogP0.09
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.29
LogP ≤ 50.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(methylamino)-3-(1-methylimidazol-2-yl)sulfanylpropan-2-ol?
The IUPAC name of 1-(methylamino)-3-(1-methylimidazol-2-yl)sulfanylpropan-2-ol (CID 43188087) is 1-(methylamino)-3-(1-methylimidazol-2-yl)sulfanylpropan-2-ol.
What is the SMILES notation for 1-(methylamino)-3-(1-methylimidazol-2-yl)sulfanylpropan-2-ol?
The canonical SMILES for 1-(methylamino)-3-(1-methylimidazol-2-yl)sulfanylpropan-2-ol is CNCC(O)CSc1nccn1C.
What is the InChIKey of 1-(methylamino)-3-(1-methylimidazol-2-yl)sulfanylpropan-2-ol?
The InChIKey is COQPOLUVNALALK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3OS/c1-9-5-7(12)6-13-8-10-3-4-11(8)2/h3-4,7,9,12H,5-6H2,1-2H3.
What are the key properties of 1-(methylamino)-3-(1-methylimidazol-2-yl)sulfanylpropan-2-ol?
1-(methylamino)-3-(1-methylimidazol-2-yl)sulfanylpropan-2-ol has a molecular weight of 201.29 g/mol, XLogP of 0.09, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methylamino)-3-(1-methylimidazol-2-yl)sulfanylpropan-2-ol is sourced from PubChem (CID 43188087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).