2-[5-(hydroxymethyl)-1-methylimidazol-2-yl]sulfanyl-N-propylpropanamide

C11H19N3O2S — CID 66150872

IUPAC2-[5-(hydroxymethyl)-1-methylimidazol-2-yl]sulfanyl-N-propylpropanamide
SMILESCCCNC(=O)C(C)Sc1ncc(CO)n1C
InChIInChI=1S/C11H19N3O2S/c1-4-5-12-10(16)8(2)17-11-13-6-9(7-15)14(11)3/h6,8,15H,4-5,7H2,1-3H3,(H,12,16)
InChIKeyUNTBPMLJWYYKJM-UHFFFAOYSA-N
MW257.36 g/mol
LogP0.92
Rot. Bonds6

About 2-[5-(hydroxymethyl)-1-methylimidazol-2-yl]sulfanyl-N-propylpropanamide

2-[5-(hydroxymethyl)-1-methylimidazol-2-yl]sulfanyl-N-propylpropanamide (PubChem CID 66150872) has the molecular formula C11H19N3O2S and a molecular weight of 257.36 g/mol. Its IUPAC name is 2-[5-(hydroxymethyl)-1-methylimidazol-2-yl]sulfanyl-N-propylpropanamide.

Molecular Properties

Compound Name2-[5-(hydroxymethyl)-1-methylimidazol-2-yl]sulfanyl-N-propylpropanamide
PubChem CID66150872
Molecular FormulaC11H19N3O2S
Molecular Weight257.36 g/mol
Exact Mass257.12
IUPAC Name2-[5-(hydroxymethyl)-1-methylimidazol-2-yl]sulfanyl-N-propylpropanamide
SMILESCCCNC(=O)C(C)Sc1ncc(CO)n1C
InChIInChI=1S/C11H19N3O2S/c1-4-5-12-10(16)8(2)17-11-13-6-9(7-15)14(11)3/h6,8,15H,4-5,7H2,1-3H3,(H,12,16)
InChIKeyUNTBPMLJWYYKJM-UHFFFAOYSA-N
XLogP0.92
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 96568411
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CID 96568412
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CID 106717235
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CID 111825247
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CID 112350289
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CID 112350292
CID 112350292

Frequently Asked Questions

What is the IUPAC name of 2-[5-(hydroxymethyl)-1-methylimidazol-2-yl]sulfanyl-N-propylpropanamide?
The IUPAC name of 2-[5-(hydroxymethyl)-1-methylimidazol-2-yl]sulfanyl-N-propylpropanamide (CID 66150872) is 2-[5-(hydroxymethyl)-1-methylimidazol-2-yl]sulfanyl-N-propylpropanamide.
What is the SMILES notation for 2-[5-(hydroxymethyl)-1-methylimidazol-2-yl]sulfanyl-N-propylpropanamide?
The canonical SMILES for 2-[5-(hydroxymethyl)-1-methylimidazol-2-yl]sulfanyl-N-propylpropanamide is CCCNC(=O)C(C)Sc1ncc(CO)n1C.
What is the InChIKey of 2-[5-(hydroxymethyl)-1-methylimidazol-2-yl]sulfanyl-N-propylpropanamide?
The InChIKey is UNTBPMLJWYYKJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2S/c1-4-5-12-10(16)8(2)17-11-13-6-9(7-15)14(11)3/h6,8,15H,4-5,7H2,1-3H3,(H,12,16).
What are the key properties of 2-[5-(hydroxymethyl)-1-methylimidazol-2-yl]sulfanyl-N-propylpropanamide?
2-[5-(hydroxymethyl)-1-methylimidazol-2-yl]sulfanyl-N-propylpropanamide has a molecular weight of 257.36 g/mol, XLogP of 0.92, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(hydroxymethyl)-1-methylimidazol-2-yl]sulfanyl-N-propylpropanamide is sourced from PubChem (CID 66150872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).