5-piperidin-1-ylsulfonyl-1,3-dihydrobenzimidazol-2-one

C12H15N3O3S — CID 653417

IUPAC5-piperidin-1-ylsulfonyl-1,3-dihydrobenzimidazol-2-one
SMILESO=c1[nH]c2ccc(S(=O)(=O)N3CCCCC3)cc2[nH]1
InChIInChI=1S/C12H15N3O3S/c16-12-13-10-5-4-9(8-11(10)14-12)19(17,18)15-6-2-1-3-7-15/h4-5,8H,1-3,6-7H2,(H2,13,14,16)
InChIKeyOTSDUYHYXRIULR-UHFFFAOYSA-N
MW281.34 g/mol
LogP1.03
Rot. Bonds2

About 5-piperidin-1-ylsulfonyl-1,3-dihydrobenzimidazol-2-one

5-piperidin-1-ylsulfonyl-1,3-dihydrobenzimidazol-2-one (PubChem CID 653417) has the molecular formula C12H15N3O3S and a molecular weight of 281.34 g/mol. Its IUPAC name is 5-piperidin-1-ylsulfonyl-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-piperidin-1-ylsulfonyl-1,3-dihydrobenzimidazol-2-one
PubChem CID653417
Molecular FormulaC12H15N3O3S
Molecular Weight281.34 g/mol
Exact Mass281.08
IUPAC Name5-piperidin-1-ylsulfonyl-1,3-dihydrobenzimidazol-2-one
SMILESO=c1[nH]c2ccc(S(=O)(=O)N3CCCCC3)cc2[nH]1
InChIInChI=1S/C12H15N3O3S/c16-12-13-10-5-4-9(8-11(10)14-12)19(17,18)15-6-2-1-3-7-15/h4-5,8H,1-3,6-7H2,(H2,13,14,16)
InChIKeyOTSDUYHYXRIULR-UHFFFAOYSA-N
XLogP1.03
TPSA86.03 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.34
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-piperidin-1-ylsulfonyl-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 5-piperidin-1-ylsulfonyl-1,3-dihydrobenzimidazol-2-one (CID 653417) is 5-piperidin-1-ylsulfonyl-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 5-piperidin-1-ylsulfonyl-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 5-piperidin-1-ylsulfonyl-1,3-dihydrobenzimidazol-2-one is O=c1[nH]c2ccc(S(=O)(=O)N3CCCCC3)cc2[nH]1.
What is the InChIKey of 5-piperidin-1-ylsulfonyl-1,3-dihydrobenzimidazol-2-one?
The InChIKey is OTSDUYHYXRIULR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O3S/c16-12-13-10-5-4-9(8-11(10)14-12)19(17,18)15-6-2-1-3-7-15/h4-5,8H,1-3,6-7H2,(H2,13,14,16).
What are the key properties of 5-piperidin-1-ylsulfonyl-1,3-dihydrobenzimidazol-2-one?
5-piperidin-1-ylsulfonyl-1,3-dihydrobenzimidazol-2-one has a molecular weight of 281.34 g/mol, XLogP of 1.03, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-piperidin-1-ylsulfonyl-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 653417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).