N-ethyl-2-(4-propan-2-yl-2-sulfanylidene-1H-imidazol-3-yl)propanamide

C11H19N3OS — CID 64863744

IUPACN-ethyl-2-(4-propan-2-yl-2-sulfanylidene-1H-imidazol-3-yl)propanamide
SMILESCCNC(=O)C(C)n1c(C(C)C)c[nH]c1=S
InChIInChI=1S/C11H19N3OS/c1-5-12-10(15)8(4)14-9(7(2)3)6-13-11(14)16/h6-8H,5H2,1-4H3,(H,12,15)(H,13,16)
InChIKeyIKIMKNXJNUVAMR-UHFFFAOYSA-N
MW241.36 g/mol
LogP2.37
Rot. Bonds4

About N-ethyl-2-(4-propan-2-yl-2-sulfanylidene-1H-imidazol-3-yl)propanamide

N-ethyl-2-(4-propan-2-yl-2-sulfanylidene-1H-imidazol-3-yl)propanamide (PubChem CID 64863744) has the molecular formula C11H19N3OS and a molecular weight of 241.36 g/mol. Its IUPAC name is N-ethyl-2-(4-propan-2-yl-2-sulfanylidene-1H-imidazol-3-yl)propanamide.

Molecular Properties

Compound NameN-ethyl-2-(4-propan-2-yl-2-sulfanylidene-1H-imidazol-3-yl)propanamide
PubChem CID64863744
Molecular FormulaC11H19N3OS
Molecular Weight241.36 g/mol
Exact Mass241.12
IUPAC NameN-ethyl-2-(4-propan-2-yl-2-sulfanylidene-1H-imidazol-3-yl)propanamide
SMILESCCNC(=O)C(C)n1c(C(C)C)c[nH]c1=S
InChIInChI=1S/C11H19N3OS/c1-5-12-10(15)8(4)14-9(7(2)3)6-13-11(14)16/h6-8H,5H2,1-4H3,(H,12,15)(H,13,16)
InChIKeyIKIMKNXJNUVAMR-UHFFFAOYSA-N
XLogP2.37
TPSA49.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(4-propan-2-yl-2-sulfanylidene-1H-imidazol-3-yl)propanamide?
The IUPAC name of N-ethyl-2-(4-propan-2-yl-2-sulfanylidene-1H-imidazol-3-yl)propanamide (CID 64863744) is N-ethyl-2-(4-propan-2-yl-2-sulfanylidene-1H-imidazol-3-yl)propanamide.
What is the SMILES notation for N-ethyl-2-(4-propan-2-yl-2-sulfanylidene-1H-imidazol-3-yl)propanamide?
The canonical SMILES for N-ethyl-2-(4-propan-2-yl-2-sulfanylidene-1H-imidazol-3-yl)propanamide is CCNC(=O)C(C)n1c(C(C)C)c[nH]c1=S.
What is the InChIKey of N-ethyl-2-(4-propan-2-yl-2-sulfanylidene-1H-imidazol-3-yl)propanamide?
The InChIKey is IKIMKNXJNUVAMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3OS/c1-5-12-10(15)8(4)14-9(7(2)3)6-13-11(14)16/h6-8H,5H2,1-4H3,(H,12,15)(H,13,16).
What are the key properties of N-ethyl-2-(4-propan-2-yl-2-sulfanylidene-1H-imidazol-3-yl)propanamide?
N-ethyl-2-(4-propan-2-yl-2-sulfanylidene-1H-imidazol-3-yl)propanamide has a molecular weight of 241.36 g/mol, XLogP of 2.37, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(4-propan-2-yl-2-sulfanylidene-1H-imidazol-3-yl)propanamide is sourced from PubChem (CID 64863744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).