N-butan-2-yl-2-[4-(2-methylsulfanylethyl)-2,5-dioxoimidazolidin-1-yl]acetamide

C12H21N3O3S — CID 3519824

IUPACN-butan-2-yl-2-[4-(2-methylsulfanylethyl)-2,5-dioxoimidazolidin-1-yl]acetamide
SMILESCCC(C)NC(=O)CN1C(=O)NC(CCSC)C1=O
InChIInChI=1S/C12H21N3O3S/c1-4-8(2)13-10(16)7-15-11(17)9(5-6-19-3)14-12(15)18/h8-9H,4-7H2,1-3H3,(H,13,16)(H,14,18)
InChIKeyTYUGRAJIWILNEU-UHFFFAOYSA-N
MW287.38 g/mol
LogP0.57
Rot. Bonds7

About N-butan-2-yl-2-[4-(2-methylsulfanylethyl)-2,5-dioxoimidazolidin-1-yl]acetamide

N-butan-2-yl-2-[4-(2-methylsulfanylethyl)-2,5-dioxoimidazolidin-1-yl]acetamide (PubChem CID 3519824) has the molecular formula C12H21N3O3S and a molecular weight of 287.38 g/mol. Its IUPAC name is N-butan-2-yl-2-[4-(2-methylsulfanylethyl)-2,5-dioxoimidazolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-butan-2-yl-2-[4-(2-methylsulfanylethyl)-2,5-dioxoimidazolidin-1-yl]acetamide
PubChem CID3519824
Molecular FormulaC12H21N3O3S
Molecular Weight287.38 g/mol
Exact Mass287.13
IUPAC NameN-butan-2-yl-2-[4-(2-methylsulfanylethyl)-2,5-dioxoimidazolidin-1-yl]acetamide
SMILESCCC(C)NC(=O)CN1C(=O)NC(CCSC)C1=O
InChIInChI=1S/C12H21N3O3S/c1-4-8(2)13-10(16)7-15-11(17)9(5-6-19-3)14-12(15)18/h8-9H,4-7H2,1-3H3,(H,13,16)(H,14,18)
InChIKeyTYUGRAJIWILNEU-UHFFFAOYSA-N
XLogP0.57
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-[4-(2-methylsulfanylethyl)-2,5-dioxoimidazolidin-1-yl]acetamide?
The IUPAC name of N-butan-2-yl-2-[4-(2-methylsulfanylethyl)-2,5-dioxoimidazolidin-1-yl]acetamide (CID 3519824) is N-butan-2-yl-2-[4-(2-methylsulfanylethyl)-2,5-dioxoimidazolidin-1-yl]acetamide.
What is the SMILES notation for N-butan-2-yl-2-[4-(2-methylsulfanylethyl)-2,5-dioxoimidazolidin-1-yl]acetamide?
The canonical SMILES for N-butan-2-yl-2-[4-(2-methylsulfanylethyl)-2,5-dioxoimidazolidin-1-yl]acetamide is CCC(C)NC(=O)CN1C(=O)NC(CCSC)C1=O.
What is the InChIKey of N-butan-2-yl-2-[4-(2-methylsulfanylethyl)-2,5-dioxoimidazolidin-1-yl]acetamide?
The InChIKey is TYUGRAJIWILNEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O3S/c1-4-8(2)13-10(16)7-15-11(17)9(5-6-19-3)14-12(15)18/h8-9H,4-7H2,1-3H3,(H,13,16)(H,14,18).
What are the key properties of N-butan-2-yl-2-[4-(2-methylsulfanylethyl)-2,5-dioxoimidazolidin-1-yl]acetamide?
N-butan-2-yl-2-[4-(2-methylsulfanylethyl)-2,5-dioxoimidazolidin-1-yl]acetamide has a molecular weight of 287.38 g/mol, XLogP of 0.57, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-[4-(2-methylsulfanylethyl)-2,5-dioxoimidazolidin-1-yl]acetamide is sourced from PubChem (CID 3519824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).