1-(2-prop-2-ynylsulfanylethyl)imidazolidin-2-one

C8H12N2OS — CID 106433189

IUPAC1-(2-prop-2-ynylsulfanylethyl)imidazolidin-2-one
SMILESC#CCSCCN1CCNC1=O
InChIInChI=1S/C8H12N2OS/c1-2-6-12-7-5-10-4-3-9-8(10)11/h1H,3-7H2,(H,9,11)
InChIKeyCOQWEVCQZKAAAN-UHFFFAOYSA-N
MW184.26 g/mol
LogP0.38
Rot. Bonds4

About 1-(2-prop-2-ynylsulfanylethyl)imidazolidin-2-one

1-(2-prop-2-ynylsulfanylethyl)imidazolidin-2-one (PubChem CID 106433189) has the molecular formula C8H12N2OS and a molecular weight of 184.26 g/mol. Its IUPAC name is 1-(2-prop-2-ynylsulfanylethyl)imidazolidin-2-one.

Molecular Properties

Compound Name1-(2-prop-2-ynylsulfanylethyl)imidazolidin-2-one
PubChem CID106433189
Molecular FormulaC8H12N2OS
Molecular Weight184.26 g/mol
Exact Mass184.07
IUPAC Name1-(2-prop-2-ynylsulfanylethyl)imidazolidin-2-one
SMILESC#CCSCCN1CCNC1=O
InChIInChI=1S/C8H12N2OS/c1-2-6-12-7-5-10-4-3-9-8(10)11/h1H,3-7H2,(H,9,11)
InChIKeyCOQWEVCQZKAAAN-UHFFFAOYSA-N
XLogP0.38
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.26
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(2-prop-2-ynylsulfanylethyl)imidazolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-propan-2-yl-1-(2-prop-2-ynylsulfanylethyl)-1,4-diazepane-2,5-dione
CID 106433087
3-amino-1-(2-prop-2-ynylsulfanylethyl)piperidin-2-one
CID 106432535
1-[2-(3-hydroxypropylsulfanyl)ethyl]-1,3-diazinan-2-one
CID 106305088
1-(2-methylsulfanylethyl)-1,3-diazinan-2-one
CID 115371185
1-(2-fluoroethyl)imidazolidin-2-one
CID 87326772
11-(2-prop-2-ynylsulfanylethyl)-7,11-diazaspiro[5.6]dodecane-8,12-dione
CID 106432997
1-(2-prop-2-ynylsulfanylethyl)azepane
CID 134064544
methyl 2-[1-[2-(2-oxoimidazolidin-1-yl)ethylsulfanylmethyl]cyclopropyl]acetate
CID 114000208
2-(2-oxoimidazolidin-1-yl)acetaldehyde
CID 19031600
2,3-dimethyl-1-(2-prop-2-ynylsulfanylethyl)piperidin-4-one
CID 106429760
1-(2-piperazin-1-ylethyl)imidazolidin-2-one;dihydrochloride
CID 47002685
ethane;1-[2-(methylamino)ethyl]imidazolidin-2-one
CID 142017156

Frequently Asked Questions

What is the IUPAC name of 1-(2-prop-2-ynylsulfanylethyl)imidazolidin-2-one?
The IUPAC name of 1-(2-prop-2-ynylsulfanylethyl)imidazolidin-2-one (CID 106433189) is 1-(2-prop-2-ynylsulfanylethyl)imidazolidin-2-one.
What is the SMILES notation for 1-(2-prop-2-ynylsulfanylethyl)imidazolidin-2-one?
The canonical SMILES for 1-(2-prop-2-ynylsulfanylethyl)imidazolidin-2-one is C#CCSCCN1CCNC1=O.
What is the InChIKey of 1-(2-prop-2-ynylsulfanylethyl)imidazolidin-2-one?
The InChIKey is COQWEVCQZKAAAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2OS/c1-2-6-12-7-5-10-4-3-9-8(10)11/h1H,3-7H2,(H,9,11).
What are the key properties of 1-(2-prop-2-ynylsulfanylethyl)imidazolidin-2-one?
1-(2-prop-2-ynylsulfanylethyl)imidazolidin-2-one has a molecular weight of 184.26 g/mol, XLogP of 0.38, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-prop-2-ynylsulfanylethyl)imidazolidin-2-one is sourced from PubChem (CID 106433189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).