N-(1H-imidazol-5-ylmethyl)-N-(trimethyl-λ4-sulfanyl)acetamide

C9H17N3OS — CID 171517726

IUPACN-(1H-imidazol-5-ylmethyl)-N-(trimethyl-λ4-sulfanyl)acetamide
SMILESCC(=O)N(Cc1cnc[nH]1)S(C)(C)C
InChIInChI=1S/C9H17N3OS/c1-8(13)12(14(2,3)4)6-9-5-10-7-11-9/h5,7H,6H2,1-4H3,(H,10,11)
InChIKeyLLGJUKFSTUMOQC-UHFFFAOYSA-N
MW215.32 g/mol
LogP1.37
Rot. Bonds3

About N-(1H-imidazol-5-ylmethyl)-N-(trimethyl-λ4-sulfanyl)acetamide

N-(1H-imidazol-5-ylmethyl)-N-(trimethyl-λ4-sulfanyl)acetamide (PubChem CID 171517726) has the molecular formula C9H17N3OS and a molecular weight of 215.32 g/mol. Its IUPAC name is N-(1H-imidazol-5-ylmethyl)-N-(trimethyl-λ4-sulfanyl)acetamide.

Molecular Properties

Compound NameN-(1H-imidazol-5-ylmethyl)-N-(trimethyl-λ4-sulfanyl)acetamide
PubChem CID171517726
Molecular FormulaC9H17N3OS
Molecular Weight215.32 g/mol
Exact Mass215.11
IUPAC NameN-(1H-imidazol-5-ylmethyl)-N-(trimethyl-λ4-sulfanyl)acetamide
SMILESCC(=O)N(Cc1cnc[nH]1)S(C)(C)C
InChIInChI=1S/C9H17N3OS/c1-8(13)12(14(2,3)4)6-9-5-10-7-11-9/h5,7H,6H2,1-4H3,(H,10,11)
InChIKeyLLGJUKFSTUMOQC-UHFFFAOYSA-N
XLogP1.37
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.32
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(1H-imidazol-5-ylmethyl)-N-(trimethyl-λ4-sulfanyl)acetamide?
The IUPAC name of N-(1H-imidazol-5-ylmethyl)-N-(trimethyl-λ4-sulfanyl)acetamide (CID 171517726) is N-(1H-imidazol-5-ylmethyl)-N-(trimethyl-λ4-sulfanyl)acetamide.
What is the SMILES notation for N-(1H-imidazol-5-ylmethyl)-N-(trimethyl-λ4-sulfanyl)acetamide?
The canonical SMILES for N-(1H-imidazol-5-ylmethyl)-N-(trimethyl-λ4-sulfanyl)acetamide is CC(=O)N(Cc1cnc[nH]1)S(C)(C)C.
What is the InChIKey of N-(1H-imidazol-5-ylmethyl)-N-(trimethyl-λ4-sulfanyl)acetamide?
The InChIKey is LLGJUKFSTUMOQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3OS/c1-8(13)12(14(2,3)4)6-9-5-10-7-11-9/h5,7H,6H2,1-4H3,(H,10,11).
What are the key properties of N-(1H-imidazol-5-ylmethyl)-N-(trimethyl-λ4-sulfanyl)acetamide?
N-(1H-imidazol-5-ylmethyl)-N-(trimethyl-λ4-sulfanyl)acetamide has a molecular weight of 215.32 g/mol, XLogP of 1.37, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-imidazol-5-ylmethyl)-N-(trimethyl-λ4-sulfanyl)acetamide is sourced from PubChem (CID 171517726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).