N-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]butane-1-sulfonamide

C9H17N3O4S — CID 110719155

IUPACN-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)NCCN1C(=O)CNC1=O
InChIInChI=1S/C9H17N3O4S/c1-2-3-6-17(15,16)11-4-5-12-8(13)7-10-9(12)14/h11H,2-7H2,1H3,(H,10,14)
InChIKeyVRCHGSIKVUEMHC-UHFFFAOYSA-N
MW263.32 g/mol
LogP-0.74
Rot. Bonds7

About N-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]butane-1-sulfonamide

N-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]butane-1-sulfonamide (PubChem CID 110719155) has the molecular formula C9H17N3O4S and a molecular weight of 263.32 g/mol. Its IUPAC name is N-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]butane-1-sulfonamide.

Molecular Properties

Compound NameN-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]butane-1-sulfonamide
PubChem CID110719155
Molecular FormulaC9H17N3O4S
Molecular Weight263.32 g/mol
Exact Mass263.09
IUPAC NameN-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)NCCN1C(=O)CNC1=O
InChIInChI=1S/C9H17N3O4S/c1-2-3-6-17(15,16)11-4-5-12-8(13)7-10-9(12)14/h11H,2-7H2,1H3,(H,10,14)
InChIKeyVRCHGSIKVUEMHC-UHFFFAOYSA-N
XLogP-0.74
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 5-0.74
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-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]butane-1-sulfonamide?
The IUPAC name of N-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]butane-1-sulfonamide (CID 110719155) is N-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]butane-1-sulfonamide.
What is the SMILES notation for N-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]butane-1-sulfonamide?
The canonical SMILES for N-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]butane-1-sulfonamide is CCCCS(=O)(=O)NCCN1C(=O)CNC1=O.
What is the InChIKey of N-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]butane-1-sulfonamide?
The InChIKey is VRCHGSIKVUEMHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O4S/c1-2-3-6-17(15,16)11-4-5-12-8(13)7-10-9(12)14/h11H,2-7H2,1H3,(H,10,14).
What are the key properties of N-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]butane-1-sulfonamide?
N-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]butane-1-sulfonamide has a molecular weight of 263.32 g/mol, XLogP of -0.74, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]butane-1-sulfonamide is sourced from PubChem (CID 110719155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).