N-[2-[[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]methylsulfanyl]ethyl]acetamide

C9H15N3O3S — CID 59877736

IUPACN-[2-[[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]methylsulfanyl]ethyl]acetamide
SMILESCC(=O)NCCSC[C@]1(C)NC(=O)NC1=O
InChIInChI=1S/C9H15N3O3S/c1-6(13)10-3-4-16-5-9(2)7(14)11-8(15)12-9/h3-5H2,1-2H3,(H,10,13)(H2,11,12,14,15)/t9-/m0/s1
InChIKeyYTUNEJDTKGUERU-VIFPVBQESA-N
MW245.30 g/mol
LogP-0.55
Rot. Bonds5

About N-[2-[[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]methylsulfanyl]ethyl]acetamide

N-[2-[[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]methylsulfanyl]ethyl]acetamide (PubChem CID 59877736) has the molecular formula C9H15N3O3S and a molecular weight of 245.30 g/mol. Its IUPAC name is N-[2-[[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]methylsulfanyl]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]methylsulfanyl]ethyl]acetamide
PubChem CID59877736
Molecular FormulaC9H15N3O3S
Molecular Weight245.30 g/mol
Exact Mass245.08
IUPAC NameN-[2-[[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]methylsulfanyl]ethyl]acetamide
SMILESCC(=O)NCCSC[C@]1(C)NC(=O)NC1=O
InChIInChI=1S/C9H15N3O3S/c1-6(13)10-3-4-16-5-9(2)7(14)11-8(15)12-9/h3-5H2,1-2H3,(H,10,13)(H2,11,12,14,15)/t9-/m0/s1
InChIKeyYTUNEJDTKGUERU-VIFPVBQESA-N
XLogP-0.55
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.30
LogP ≤ 5-0.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-[[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]methylsulfanyl]ethyl]acetamide?
The IUPAC name of N-[2-[[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]methylsulfanyl]ethyl]acetamide (CID 59877736) is N-[2-[[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]methylsulfanyl]ethyl]acetamide.
What is the SMILES notation for N-[2-[[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]methylsulfanyl]ethyl]acetamide?
The canonical SMILES for N-[2-[[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]methylsulfanyl]ethyl]acetamide is CC(=O)NCCSC[C@]1(C)NC(=O)NC1=O.
What is the InChIKey of N-[2-[[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]methylsulfanyl]ethyl]acetamide?
The InChIKey is YTUNEJDTKGUERU-VIFPVBQESA-N. The full InChI is InChI=1S/C9H15N3O3S/c1-6(13)10-3-4-16-5-9(2)7(14)11-8(15)12-9/h3-5H2,1-2H3,(H,10,13)(H2,11,12,14,15)/t9-/m0/s1.
What are the key properties of N-[2-[[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]methylsulfanyl]ethyl]acetamide?
N-[2-[[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]methylsulfanyl]ethyl]acetamide has a molecular weight of 245.30 g/mol, XLogP of -0.55, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]methylsulfanyl]ethyl]acetamide is sourced from PubChem (CID 59877736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).