1-(2,5-dioxoimidazolidin-4-yl)-N-[[(2S)-1-(1-sulfanylethyl)pyrrolidin-2-yl]methyl]methanesulfonamide

C11H20N4O4S2 — CID 174164433

IUPAC1-(2,5-dioxoimidazolidin-4-yl)-N-[[(2S)-1-(1-sulfanylethyl)pyrrolidin-2-yl]methyl]methanesulfonamide
SMILESCC(S)N1CCC[C@H]1CNS(=O)(=O)CC1NC(=O)NC1=O
InChIInChI=1S/C11H20N4O4S2/c1-7(20)15-4-2-3-8(15)5-12-21(18,19)6-9-10(16)14-11(17)13-9/h7-9,12,20H,2-6H2,1H3,(H2,13,14,16,17)/t7?,8-,9?/m0/s1
InChIKeyYADISOMOEVHWEH-MGURRDGZSA-N
MW336.44 g/mol
LogP-1.15
Rot. Bonds6

About 1-(2,5-dioxoimidazolidin-4-yl)-N-[[(2S)-1-(1-sulfanylethyl)pyrrolidin-2-yl]methyl]methanesulfonamide

1-(2,5-dioxoimidazolidin-4-yl)-N-[[(2S)-1-(1-sulfanylethyl)pyrrolidin-2-yl]methyl]methanesulfonamide (PubChem CID 174164433) has the molecular formula C11H20N4O4S2 and a molecular weight of 336.44 g/mol. Its IUPAC name is 1-(2,5-dioxoimidazolidin-4-yl)-N-[[(2S)-1-(1-sulfanylethyl)pyrrolidin-2-yl]methyl]methanesulfonamide.

Molecular Properties

Compound Name1-(2,5-dioxoimidazolidin-4-yl)-N-[[(2S)-1-(1-sulfanylethyl)pyrrolidin-2-yl]methyl]methanesulfonamide
PubChem CID174164433
Molecular FormulaC11H20N4O4S2
Molecular Weight336.44 g/mol
Exact Mass336.09
IUPAC Name1-(2,5-dioxoimidazolidin-4-yl)-N-[[(2S)-1-(1-sulfanylethyl)pyrrolidin-2-yl]methyl]methanesulfonamide
SMILESCC(S)N1CCC[C@H]1CNS(=O)(=O)CC1NC(=O)NC1=O
InChIInChI=1S/C11H20N4O4S2/c1-7(20)15-4-2-3-8(15)5-12-21(18,19)6-9-10(16)14-11(17)13-9/h7-9,12,20H,2-6H2,1H3,(H2,13,14,16,17)/t7?,8-,9?/m0/s1
InChIKeyYADISOMOEVHWEH-MGURRDGZSA-N
XLogP-1.15
TPSA107.61 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 5-1.15
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dioxoimidazolidin-4-yl)-N-[[(2S)-1-(1-sulfanylethyl)pyrrolidin-2-yl]methyl]methanesulfonamide?
The IUPAC name of 1-(2,5-dioxoimidazolidin-4-yl)-N-[[(2S)-1-(1-sulfanylethyl)pyrrolidin-2-yl]methyl]methanesulfonamide (CID 174164433) is 1-(2,5-dioxoimidazolidin-4-yl)-N-[[(2S)-1-(1-sulfanylethyl)pyrrolidin-2-yl]methyl]methanesulfonamide.
What is the SMILES notation for 1-(2,5-dioxoimidazolidin-4-yl)-N-[[(2S)-1-(1-sulfanylethyl)pyrrolidin-2-yl]methyl]methanesulfonamide?
The canonical SMILES for 1-(2,5-dioxoimidazolidin-4-yl)-N-[[(2S)-1-(1-sulfanylethyl)pyrrolidin-2-yl]methyl]methanesulfonamide is CC(S)N1CCC[C@H]1CNS(=O)(=O)CC1NC(=O)NC1=O.
What is the InChIKey of 1-(2,5-dioxoimidazolidin-4-yl)-N-[[(2S)-1-(1-sulfanylethyl)pyrrolidin-2-yl]methyl]methanesulfonamide?
The InChIKey is YADISOMOEVHWEH-MGURRDGZSA-N. The full InChI is InChI=1S/C11H20N4O4S2/c1-7(20)15-4-2-3-8(15)5-12-21(18,19)6-9-10(16)14-11(17)13-9/h7-9,12,20H,2-6H2,1H3,(H2,13,14,16,17)/t7?,8-,9?/m0/s1.
What are the key properties of 1-(2,5-dioxoimidazolidin-4-yl)-N-[[(2S)-1-(1-sulfanylethyl)pyrrolidin-2-yl]methyl]methanesulfonamide?
1-(2,5-dioxoimidazolidin-4-yl)-N-[[(2S)-1-(1-sulfanylethyl)pyrrolidin-2-yl]methyl]methanesulfonamide has a molecular weight of 336.44 g/mol, XLogP of -1.15, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dioxoimidazolidin-4-yl)-N-[[(2S)-1-(1-sulfanylethyl)pyrrolidin-2-yl]methyl]methanesulfonamide is sourced from PubChem (CID 174164433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).