1-[3-(4-methylphenyl)sulfonylimidazolidin-1-yl]-2-pyrrolidin-1-ylethanone

C16H23N3O3S — CID 683045

IUPAC1-[3-(4-methylphenyl)sulfonylimidazolidin-1-yl]-2-pyrrolidin-1-ylethanone
SMILESCc1ccc(S(=O)(=O)N2CCN(C(=O)CN3CCCC3)C2)cc1
InChIInChI=1S/C16H23N3O3S/c1-14-4-6-15(7-5-14)23(21,22)19-11-10-18(13-19)16(20)12-17-8-2-3-9-17/h4-7H,2-3,8-13H2,1H3
InChIKeyDCHFXLZEJQBRHA-UHFFFAOYSA-N
MW337.44 g/mol
LogP0.88
Rot. Bonds4

About 1-[3-(4-methylphenyl)sulfonylimidazolidin-1-yl]-2-pyrrolidin-1-ylethanone

1-[3-(4-methylphenyl)sulfonylimidazolidin-1-yl]-2-pyrrolidin-1-ylethanone (PubChem CID 683045) has the molecular formula C16H23N3O3S and a molecular weight of 337.44 g/mol. Its IUPAC name is 1-[3-(4-methylphenyl)sulfonylimidazolidin-1-yl]-2-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name1-[3-(4-methylphenyl)sulfonylimidazolidin-1-yl]-2-pyrrolidin-1-ylethanone
PubChem CID683045
Molecular FormulaC16H23N3O3S
Molecular Weight337.44 g/mol
Exact Mass337.15
IUPAC Name1-[3-(4-methylphenyl)sulfonylimidazolidin-1-yl]-2-pyrrolidin-1-ylethanone
SMILESCc1ccc(S(=O)(=O)N2CCN(C(=O)CN3CCCC3)C2)cc1
InChIInChI=1S/C16H23N3O3S/c1-14-4-6-15(7-5-14)23(21,22)19-11-10-18(13-19)16(20)12-17-8-2-3-9-17/h4-7H,2-3,8-13H2,1H3
InChIKeyDCHFXLZEJQBRHA-UHFFFAOYSA-N
XLogP0.88
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.44
LogP ≤ 50.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-methylphenyl)sulfonylimidazolidin-1-yl]-2-pyrrolidin-1-ylethanone?
The IUPAC name of 1-[3-(4-methylphenyl)sulfonylimidazolidin-1-yl]-2-pyrrolidin-1-ylethanone (CID 683045) is 1-[3-(4-methylphenyl)sulfonylimidazolidin-1-yl]-2-pyrrolidin-1-ylethanone.
What is the SMILES notation for 1-[3-(4-methylphenyl)sulfonylimidazolidin-1-yl]-2-pyrrolidin-1-ylethanone?
The canonical SMILES for 1-[3-(4-methylphenyl)sulfonylimidazolidin-1-yl]-2-pyrrolidin-1-ylethanone is Cc1ccc(S(=O)(=O)N2CCN(C(=O)CN3CCCC3)C2)cc1.
What is the InChIKey of 1-[3-(4-methylphenyl)sulfonylimidazolidin-1-yl]-2-pyrrolidin-1-ylethanone?
The InChIKey is DCHFXLZEJQBRHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3S/c1-14-4-6-15(7-5-14)23(21,22)19-11-10-18(13-19)16(20)12-17-8-2-3-9-17/h4-7H,2-3,8-13H2,1H3.
What are the key properties of 1-[3-(4-methylphenyl)sulfonylimidazolidin-1-yl]-2-pyrrolidin-1-ylethanone?
1-[3-(4-methylphenyl)sulfonylimidazolidin-1-yl]-2-pyrrolidin-1-ylethanone has a molecular weight of 337.44 g/mol, XLogP of 0.88, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-methylphenyl)sulfonylimidazolidin-1-yl]-2-pyrrolidin-1-ylethanone is sourced from PubChem (CID 683045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).