N,N-diethyl-2-[5-(hydroxymethyl)-1-(2-methylpropyl)imidazol-2-yl]sulfanylacetamide

C14H25N3O2S — CID 42795443

IUPACN,N-diethyl-2-[5-(hydroxymethyl)-1-(2-methylpropyl)imidazol-2-yl]sulfanylacetamide
SMILESCCN(CC)C(=O)CSc1ncc(CO)n1CC(C)C
InChIInChI=1S/C14H25N3O2S/c1-5-16(6-2)13(19)10-20-14-15-7-12(9-18)17(14)8-11(3)4/h7,11,18H,5-6,8-10H2,1-4H3
InChIKeyMDCFMSPBUAXSSI-UHFFFAOYSA-N
MW299.44 g/mol
LogP1.99
Rot. Bonds8

About N,N-diethyl-2-[5-(hydroxymethyl)-1-(2-methylpropyl)imidazol-2-yl]sulfanylacetamide

N,N-diethyl-2-[5-(hydroxymethyl)-1-(2-methylpropyl)imidazol-2-yl]sulfanylacetamide (PubChem CID 42795443) has the molecular formula C14H25N3O2S and a molecular weight of 299.44 g/mol. Its IUPAC name is N,N-diethyl-2-[5-(hydroxymethyl)-1-(2-methylpropyl)imidazol-2-yl]sulfanylacetamide.

Molecular Properties

Compound NameN,N-diethyl-2-[5-(hydroxymethyl)-1-(2-methylpropyl)imidazol-2-yl]sulfanylacetamide
PubChem CID42795443
Molecular FormulaC14H25N3O2S
Molecular Weight299.44 g/mol
Exact Mass299.17
IUPAC NameN,N-diethyl-2-[5-(hydroxymethyl)-1-(2-methylpropyl)imidazol-2-yl]sulfanylacetamide
SMILESCCN(CC)C(=O)CSc1ncc(CO)n1CC(C)C
InChIInChI=1S/C14H25N3O2S/c1-5-16(6-2)13(19)10-20-14-15-7-12(9-18)17(14)8-11(3)4/h7,11,18H,5-6,8-10H2,1-4H3
InChIKeyMDCFMSPBUAXSSI-UHFFFAOYSA-N
XLogP1.99
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.44
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[5-(hydroxymethyl)-1-(2-methylpropyl)imidazol-2-yl]sulfanylacetamide?
The IUPAC name of N,N-diethyl-2-[5-(hydroxymethyl)-1-(2-methylpropyl)imidazol-2-yl]sulfanylacetamide (CID 42795443) is N,N-diethyl-2-[5-(hydroxymethyl)-1-(2-methylpropyl)imidazol-2-yl]sulfanylacetamide.
What is the SMILES notation for N,N-diethyl-2-[5-(hydroxymethyl)-1-(2-methylpropyl)imidazol-2-yl]sulfanylacetamide?
The canonical SMILES for N,N-diethyl-2-[5-(hydroxymethyl)-1-(2-methylpropyl)imidazol-2-yl]sulfanylacetamide is CCN(CC)C(=O)CSc1ncc(CO)n1CC(C)C.
What is the InChIKey of N,N-diethyl-2-[5-(hydroxymethyl)-1-(2-methylpropyl)imidazol-2-yl]sulfanylacetamide?
The InChIKey is MDCFMSPBUAXSSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2S/c1-5-16(6-2)13(19)10-20-14-15-7-12(9-18)17(14)8-11(3)4/h7,11,18H,5-6,8-10H2,1-4H3.
What are the key properties of N,N-diethyl-2-[5-(hydroxymethyl)-1-(2-methylpropyl)imidazol-2-yl]sulfanylacetamide?
N,N-diethyl-2-[5-(hydroxymethyl)-1-(2-methylpropyl)imidazol-2-yl]sulfanylacetamide has a molecular weight of 299.44 g/mol, XLogP of 1.99, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[5-(hydroxymethyl)-1-(2-methylpropyl)imidazol-2-yl]sulfanylacetamide is sourced from PubChem (CID 42795443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).