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

C9H18N4O2S — CID 70145040

IUPAC(5S)-5-[2-(2-aminoethylamino)ethylsulfanylmethyl]-5-methylimidazolidine-2,4-dione
SMILESC[C@]1(CSCCNCCN)NC(=O)NC1=O
InChIInChI=1S/C9H18N4O2S/c1-9(7(14)12-8(15)13-9)6-16-5-4-11-3-2-10/h11H,2-6,10H2,1H3,(H2,12,13,14,15)/t9-/m1/s1
InChIKeyJIXIDMKESRFIGB-SECBINFHSA-N
MW246.34 g/mol
LogP-1.13
Rot. Bonds7

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

(5S)-5-[2-(2-aminoethylamino)ethylsulfanylmethyl]-5-methylimidazolidine-2,4-dione (PubChem CID 70145040) has the molecular formula C9H18N4O2S and a molecular weight of 246.34 g/mol. Its IUPAC name is (5S)-5-[2-(2-aminoethylamino)ethylsulfanylmethyl]-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-5-[2-(2-aminoethylamino)ethylsulfanylmethyl]-5-methylimidazolidine-2,4-dione
PubChem CID70145040
Molecular FormulaC9H18N4O2S
Molecular Weight246.34 g/mol
Exact Mass246.12
IUPAC Name(5S)-5-[2-(2-aminoethylamino)ethylsulfanylmethyl]-5-methylimidazolidine-2,4-dione
SMILESC[C@]1(CSCCNCCN)NC(=O)NC1=O
InChIInChI=1S/C9H18N4O2S/c1-9(7(14)12-8(15)13-9)6-16-5-4-11-3-2-10/h11H,2-6,10H2,1H3,(H2,12,13,14,15)/t9-/m1/s1
InChIKeyJIXIDMKESRFIGB-SECBINFHSA-N
XLogP-1.13
TPSA96.25 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.34
LogP ≤ 5-1.13
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-methylimidazolidine-2,4-dione?
The IUPAC name of (5S)-5-[2-(2-aminoethylamino)ethylsulfanylmethyl]-5-methylimidazolidine-2,4-dione (CID 70145040) is (5S)-5-[2-(2-aminoethylamino)ethylsulfanylmethyl]-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for (5S)-5-[2-(2-aminoethylamino)ethylsulfanylmethyl]-5-methylimidazolidine-2,4-dione?
The canonical SMILES for (5S)-5-[2-(2-aminoethylamino)ethylsulfanylmethyl]-5-methylimidazolidine-2,4-dione is C[C@]1(CSCCNCCN)NC(=O)NC1=O.
What is the InChIKey of (5S)-5-[2-(2-aminoethylamino)ethylsulfanylmethyl]-5-methylimidazolidine-2,4-dione?
The InChIKey is JIXIDMKESRFIGB-SECBINFHSA-N. The full InChI is InChI=1S/C9H18N4O2S/c1-9(7(14)12-8(15)13-9)6-16-5-4-11-3-2-10/h11H,2-6,10H2,1H3,(H2,12,13,14,15)/t9-/m1/s1.
What are the key properties of (5S)-5-[2-(2-aminoethylamino)ethylsulfanylmethyl]-5-methylimidazolidine-2,4-dione?
(5S)-5-[2-(2-aminoethylamino)ethylsulfanylmethyl]-5-methylimidazolidine-2,4-dione has a molecular weight of 246.34 g/mol, XLogP of -1.13, 7 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-methylimidazolidine-2,4-dione is sourced from PubChem (CID 70145040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).