1-[(3S)-1-[2-(3-methoxyphenyl)sulfanylacetyl]piperidin-3-yl]imidazolidin-2-one

C17H23N3O3S — CID 96533462

IUPAC1-[(3S)-1-[2-(3-methoxyphenyl)sulfanylacetyl]piperidin-3-yl]imidazolidin-2-one
SMILESCOc1cccc(SCC(=O)N2CCC[C@H](N3CCNC3=O)C2)c1
InChIInChI=1S/C17H23N3O3S/c1-23-14-5-2-6-15(10-14)24-12-16(21)19-8-3-4-13(11-19)20-9-7-18-17(20)22/h2,5-6,10,13H,3-4,7-9,11-12H2,1H3,(H,18,22)/t13-/m0/s1
InChIKeyGSQXZCMWBZIGIA-ZDUSSCGKSA-N
MW349.46 g/mol
LogP1.80
Rot. Bonds5

About 1-[(3S)-1-[2-(3-methoxyphenyl)sulfanylacetyl]piperidin-3-yl]imidazolidin-2-one

1-[(3S)-1-[2-(3-methoxyphenyl)sulfanylacetyl]piperidin-3-yl]imidazolidin-2-one (PubChem CID 96533462) has the molecular formula C17H23N3O3S and a molecular weight of 349.46 g/mol. Its IUPAC name is 1-[(3S)-1-[2-(3-methoxyphenyl)sulfanylacetyl]piperidin-3-yl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[(3S)-1-[2-(3-methoxyphenyl)sulfanylacetyl]piperidin-3-yl]imidazolidin-2-one
PubChem CID96533462
Molecular FormulaC17H23N3O3S
Molecular Weight349.46 g/mol
Exact Mass349.15
IUPAC Name1-[(3S)-1-[2-(3-methoxyphenyl)sulfanylacetyl]piperidin-3-yl]imidazolidin-2-one
SMILESCOc1cccc(SCC(=O)N2CCC[C@H](N3CCNC3=O)C2)c1
InChIInChI=1S/C17H23N3O3S/c1-23-14-5-2-6-15(10-14)24-12-16(21)19-8-3-4-13(11-19)20-9-7-18-17(20)22/h2,5-6,10,13H,3-4,7-9,11-12H2,1H3,(H,18,22)/t13-/m0/s1
InChIKeyGSQXZCMWBZIGIA-ZDUSSCGKSA-N
XLogP1.80
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.46
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-1-[2-(3-methoxyphenyl)sulfanylacetyl]piperidin-3-yl]imidazolidin-2-one?
The IUPAC name of 1-[(3S)-1-[2-(3-methoxyphenyl)sulfanylacetyl]piperidin-3-yl]imidazolidin-2-one (CID 96533462) is 1-[(3S)-1-[2-(3-methoxyphenyl)sulfanylacetyl]piperidin-3-yl]imidazolidin-2-one.
What is the SMILES notation for 1-[(3S)-1-[2-(3-methoxyphenyl)sulfanylacetyl]piperidin-3-yl]imidazolidin-2-one?
The canonical SMILES for 1-[(3S)-1-[2-(3-methoxyphenyl)sulfanylacetyl]piperidin-3-yl]imidazolidin-2-one is COc1cccc(SCC(=O)N2CCC[C@H](N3CCNC3=O)C2)c1.
What is the InChIKey of 1-[(3S)-1-[2-(3-methoxyphenyl)sulfanylacetyl]piperidin-3-yl]imidazolidin-2-one?
The InChIKey is GSQXZCMWBZIGIA-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H23N3O3S/c1-23-14-5-2-6-15(10-14)24-12-16(21)19-8-3-4-13(11-19)20-9-7-18-17(20)22/h2,5-6,10,13H,3-4,7-9,11-12H2,1H3,(H,18,22)/t13-/m0/s1.
What are the key properties of 1-[(3S)-1-[2-(3-methoxyphenyl)sulfanylacetyl]piperidin-3-yl]imidazolidin-2-one?
1-[(3S)-1-[2-(3-methoxyphenyl)sulfanylacetyl]piperidin-3-yl]imidazolidin-2-one has a molecular weight of 349.46 g/mol, XLogP of 1.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-1-[2-(3-methoxyphenyl)sulfanylacetyl]piperidin-3-yl]imidazolidin-2-one is sourced from PubChem (CID 96533462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).