1-[(2S)-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]sulfanyl]propanoyl]imidazolidin-2-one

C16H20N2O2S — CID 95234706

IUPAC1-[(2S)-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]sulfanyl]propanoyl]imidazolidin-2-one
SMILESC[C@H](S[C@@H]1CCCc2ccccc21)C(=O)N1CCNC1=O
InChIInChI=1S/C16H20N2O2S/c1-11(15(19)18-10-9-17-16(18)20)21-14-8-4-6-12-5-2-3-7-13(12)14/h2-3,5,7,11,14H,4,6,8-10H2,1H3,(H,17,20)/t11-,14+/m0/s1
InChIKeyFKZJQGVWXBFAAI-SMDDNHRTSA-N
MW304.42 g/mol
LogP2.74
Rot. Bonds3

About 1-[(2S)-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]sulfanyl]propanoyl]imidazolidin-2-one

1-[(2S)-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]sulfanyl]propanoyl]imidazolidin-2-one (PubChem CID 95234706) has the molecular formula C16H20N2O2S and a molecular weight of 304.42 g/mol. Its IUPAC name is 1-[(2S)-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]sulfanyl]propanoyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[(2S)-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]sulfanyl]propanoyl]imidazolidin-2-one
PubChem CID95234706
Molecular FormulaC16H20N2O2S
Molecular Weight304.42 g/mol
Exact Mass304.12
IUPAC Name1-[(2S)-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]sulfanyl]propanoyl]imidazolidin-2-one
SMILESC[C@H](S[C@@H]1CCCc2ccccc21)C(=O)N1CCNC1=O
InChIInChI=1S/C16H20N2O2S/c1-11(15(19)18-10-9-17-16(18)20)21-14-8-4-6-12-5-2-3-7-13(12)14/h2-3,5,7,11,14H,4,6,8-10H2,1H3,(H,17,20)/t11-,14+/m0/s1
InChIKeyFKZJQGVWXBFAAI-SMDDNHRTSA-N
XLogP2.74
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[(2S)-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]sulfanyl]propanoyl]imidazolidin-2-one with MolForge

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Related Compounds

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1-(11-azatricyclo[6.2.1.02,7]undeca-2,4,6-triene-11-carbonyl)imidazolidin-2-one
CID 122270464
1-[2-(2,3-dihydro-1H-inden-5-ylamino)propanoyl]imidazolidin-2-one
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Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]sulfanyl]propanoyl]imidazolidin-2-one?
The IUPAC name of 1-[(2S)-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]sulfanyl]propanoyl]imidazolidin-2-one (CID 95234706) is 1-[(2S)-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]sulfanyl]propanoyl]imidazolidin-2-one.
What is the SMILES notation for 1-[(2S)-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]sulfanyl]propanoyl]imidazolidin-2-one?
The canonical SMILES for 1-[(2S)-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]sulfanyl]propanoyl]imidazolidin-2-one is C[C@H](S[C@@H]1CCCc2ccccc21)C(=O)N1CCNC1=O.
What is the InChIKey of 1-[(2S)-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]sulfanyl]propanoyl]imidazolidin-2-one?
The InChIKey is FKZJQGVWXBFAAI-SMDDNHRTSA-N. The full InChI is InChI=1S/C16H20N2O2S/c1-11(15(19)18-10-9-17-16(18)20)21-14-8-4-6-12-5-2-3-7-13(12)14/h2-3,5,7,11,14H,4,6,8-10H2,1H3,(H,17,20)/t11-,14+/m0/s1.
What are the key properties of 1-[(2S)-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]sulfanyl]propanoyl]imidazolidin-2-one?
1-[(2S)-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]sulfanyl]propanoyl]imidazolidin-2-one has a molecular weight of 304.42 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]sulfanyl]propanoyl]imidazolidin-2-one is sourced from PubChem (CID 95234706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).