2-[1-(1H-imidazol-5-ylsulfonyl)piperidin-4-yl]sulfonyl-N-methylacetamide

C11H18N4O5S2 — CID 71809157

IUPAC2-[1-(1H-imidazol-5-ylsulfonyl)piperidin-4-yl]sulfonyl-N-methylacetamide
SMILESCNC(=O)CS(=O)(=O)C1CCN(S(=O)(=O)c2cnc[nH]2)CC1
InChIInChI=1S/C11H18N4O5S2/c1-12-10(16)7-21(17,18)9-2-4-15(5-3-9)22(19,20)11-6-13-8-14-11/h6,8-9H,2-5,7H2,1H3,(H,12,16)(H,13,14)
InChIKeyBNINERIHIQSFAA-UHFFFAOYSA-N
MW350.42 g/mol
LogP-1.28
Rot. Bonds5

About 2-[1-(1H-imidazol-5-ylsulfonyl)piperidin-4-yl]sulfonyl-N-methylacetamide

2-[1-(1H-imidazol-5-ylsulfonyl)piperidin-4-yl]sulfonyl-N-methylacetamide (PubChem CID 71809157) has the molecular formula C11H18N4O5S2 and a molecular weight of 350.42 g/mol. Its IUPAC name is 2-[1-(1H-imidazol-5-ylsulfonyl)piperidin-4-yl]sulfonyl-N-methylacetamide.

Molecular Properties

Compound Name2-[1-(1H-imidazol-5-ylsulfonyl)piperidin-4-yl]sulfonyl-N-methylacetamide
PubChem CID71809157
Molecular FormulaC11H18N4O5S2
Molecular Weight350.42 g/mol
Exact Mass350.07
IUPAC Name2-[1-(1H-imidazol-5-ylsulfonyl)piperidin-4-yl]sulfonyl-N-methylacetamide
SMILESCNC(=O)CS(=O)(=O)C1CCN(S(=O)(=O)c2cnc[nH]2)CC1
InChIInChI=1S/C11H18N4O5S2/c1-12-10(16)7-21(17,18)9-2-4-15(5-3-9)22(19,20)11-6-13-8-14-11/h6,8-9H,2-5,7H2,1H3,(H,12,16)(H,13,14)
InChIKeyBNINERIHIQSFAA-UHFFFAOYSA-N
XLogP-1.28
TPSA129.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 5-1.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(1H-imidazol-5-ylsulfonyl)piperidin-4-yl]sulfonyl-N-methylacetamide?
The IUPAC name of 2-[1-(1H-imidazol-5-ylsulfonyl)piperidin-4-yl]sulfonyl-N-methylacetamide (CID 71809157) is 2-[1-(1H-imidazol-5-ylsulfonyl)piperidin-4-yl]sulfonyl-N-methylacetamide.
What is the SMILES notation for 2-[1-(1H-imidazol-5-ylsulfonyl)piperidin-4-yl]sulfonyl-N-methylacetamide?
The canonical SMILES for 2-[1-(1H-imidazol-5-ylsulfonyl)piperidin-4-yl]sulfonyl-N-methylacetamide is CNC(=O)CS(=O)(=O)C1CCN(S(=O)(=O)c2cnc[nH]2)CC1.
What is the InChIKey of 2-[1-(1H-imidazol-5-ylsulfonyl)piperidin-4-yl]sulfonyl-N-methylacetamide?
The InChIKey is BNINERIHIQSFAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O5S2/c1-12-10(16)7-21(17,18)9-2-4-15(5-3-9)22(19,20)11-6-13-8-14-11/h6,8-9H,2-5,7H2,1H3,(H,12,16)(H,13,14).
What are the key properties of 2-[1-(1H-imidazol-5-ylsulfonyl)piperidin-4-yl]sulfonyl-N-methylacetamide?
2-[1-(1H-imidazol-5-ylsulfonyl)piperidin-4-yl]sulfonyl-N-methylacetamide has a molecular weight of 350.42 g/mol, XLogP of -1.28, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1H-imidazol-5-ylsulfonyl)piperidin-4-yl]sulfonyl-N-methylacetamide is sourced from PubChem (CID 71809157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).