(5S)-5-[2-(2-aminoethylamino)ethylsulfanylmethyl]-5-ethylimidazolidine-2,4-dione

C10H20N4O2S — CID 70143113

IUPAC(5S)-5-[2-(2-aminoethylamino)ethylsulfanylmethyl]-5-ethylimidazolidine-2,4-dione
SMILESCC[C@]1(CSCCNCCN)NC(=O)NC1=O
InChIInChI=1S/C10H20N4O2S/c1-2-10(8(15)13-9(16)14-10)7-17-6-5-12-4-3-11/h12H,2-7,11H2,1H3,(H2,13,14,15,16)/t10-/m1/s1
InChIKeyALMFAMSLAQRHMS-SNVBAGLBSA-N
MW260.36 g/mol
LogP-0.74
Rot. Bonds8

About (5S)-5-[2-(2-aminoethylamino)ethylsulfanylmethyl]-5-ethylimidazolidine-2,4-dione

(5S)-5-[2-(2-aminoethylamino)ethylsulfanylmethyl]-5-ethylimidazolidine-2,4-dione (PubChem CID 70143113) has the molecular formula C10H20N4O2S and a molecular weight of 260.36 g/mol. Its IUPAC name is (5S)-5-[2-(2-aminoethylamino)ethylsulfanylmethyl]-5-ethylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-5-[2-(2-aminoethylamino)ethylsulfanylmethyl]-5-ethylimidazolidine-2,4-dione
PubChem CID70143113
Molecular FormulaC10H20N4O2S
Molecular Weight260.36 g/mol
Exact Mass260.13
IUPAC Name(5S)-5-[2-(2-aminoethylamino)ethylsulfanylmethyl]-5-ethylimidazolidine-2,4-dione
SMILESCC[C@]1(CSCCNCCN)NC(=O)NC1=O
InChIInChI=1S/C10H20N4O2S/c1-2-10(8(15)13-9(16)14-10)7-17-6-5-12-4-3-11/h12H,2-7,11H2,1H3,(H2,13,14,15,16)/t10-/m1/s1
InChIKeyALMFAMSLAQRHMS-SNVBAGLBSA-N
XLogP-0.74
TPSA96.25 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 5-0.74
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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 (5S)-5-[2-(2-aminoethylamino)ethylsulfanylmethyl]-5-ethylimidazolidine-2,4-dione?
The IUPAC name of (5S)-5-[2-(2-aminoethylamino)ethylsulfanylmethyl]-5-ethylimidazolidine-2,4-dione (CID 70143113) is (5S)-5-[2-(2-aminoethylamino)ethylsulfanylmethyl]-5-ethylimidazolidine-2,4-dione.
What is the SMILES notation for (5S)-5-[2-(2-aminoethylamino)ethylsulfanylmethyl]-5-ethylimidazolidine-2,4-dione?
The canonical SMILES for (5S)-5-[2-(2-aminoethylamino)ethylsulfanylmethyl]-5-ethylimidazolidine-2,4-dione is CC[C@]1(CSCCNCCN)NC(=O)NC1=O.
What is the InChIKey of (5S)-5-[2-(2-aminoethylamino)ethylsulfanylmethyl]-5-ethylimidazolidine-2,4-dione?
The InChIKey is ALMFAMSLAQRHMS-SNVBAGLBSA-N. The full InChI is InChI=1S/C10H20N4O2S/c1-2-10(8(15)13-9(16)14-10)7-17-6-5-12-4-3-11/h12H,2-7,11H2,1H3,(H2,13,14,15,16)/t10-/m1/s1.
What are the key properties of (5S)-5-[2-(2-aminoethylamino)ethylsulfanylmethyl]-5-ethylimidazolidine-2,4-dione?
(5S)-5-[2-(2-aminoethylamino)ethylsulfanylmethyl]-5-ethylimidazolidine-2,4-dione has a molecular weight of 260.36 g/mol, XLogP of -0.74, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[2-(2-aminoethylamino)ethylsulfanylmethyl]-5-ethylimidazolidine-2,4-dione is sourced from PubChem (CID 70143113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).