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

C9H17N3OS — CID 43166315

IUPAC1-(ethylamino)-3-(1-methylimidazol-2-yl)sulfanylpropan-2-ol
SMILESCCNCC(O)CSc1nccn1C
InChIInChI=1S/C9H17N3OS/c1-3-10-6-8(13)7-14-9-11-4-5-12(9)2/h4-5,8,10,13H,3,6-7H2,1-2H3
InChIKeyGIBZWDQDZOIEPA-UHFFFAOYSA-N
MW215.32 g/mol
LogP0.48
Rot. Bonds6

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

1-(ethylamino)-3-(1-methylimidazol-2-yl)sulfanylpropan-2-ol (PubChem CID 43166315) has the molecular formula C9H17N3OS and a molecular weight of 215.32 g/mol. Its IUPAC name is 1-(ethylamino)-3-(1-methylimidazol-2-yl)sulfanylpropan-2-ol.

Molecular Properties

Compound Name1-(ethylamino)-3-(1-methylimidazol-2-yl)sulfanylpropan-2-ol
PubChem CID43166315
Molecular FormulaC9H17N3OS
Molecular Weight215.32 g/mol
Exact Mass215.11
IUPAC Name1-(ethylamino)-3-(1-methylimidazol-2-yl)sulfanylpropan-2-ol
SMILESCCNCC(O)CSc1nccn1C
InChIInChI=1S/C9H17N3OS/c1-3-10-6-8(13)7-14-9-11-4-5-12(9)2/h4-5,8,10,13H,3,6-7H2,1-2H3
InChIKeyGIBZWDQDZOIEPA-UHFFFAOYSA-N
XLogP0.48
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.32
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(ethylamino)-3-(1-methylimidazol-2-yl)sulfanylpropan-2-ol?
The IUPAC name of 1-(ethylamino)-3-(1-methylimidazol-2-yl)sulfanylpropan-2-ol (CID 43166315) is 1-(ethylamino)-3-(1-methylimidazol-2-yl)sulfanylpropan-2-ol.
What is the SMILES notation for 1-(ethylamino)-3-(1-methylimidazol-2-yl)sulfanylpropan-2-ol?
The canonical SMILES for 1-(ethylamino)-3-(1-methylimidazol-2-yl)sulfanylpropan-2-ol is CCNCC(O)CSc1nccn1C.
What is the InChIKey of 1-(ethylamino)-3-(1-methylimidazol-2-yl)sulfanylpropan-2-ol?
The InChIKey is GIBZWDQDZOIEPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3OS/c1-3-10-6-8(13)7-14-9-11-4-5-12(9)2/h4-5,8,10,13H,3,6-7H2,1-2H3.
What are the key properties of 1-(ethylamino)-3-(1-methylimidazol-2-yl)sulfanylpropan-2-ol?
1-(ethylamino)-3-(1-methylimidazol-2-yl)sulfanylpropan-2-ol has a molecular weight of 215.32 g/mol, XLogP of 0.48, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(ethylamino)-3-(1-methylimidazol-2-yl)sulfanylpropan-2-ol is sourced from PubChem (CID 43166315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).