4-[3-(1H-imidazol-2-yl)piperidin-1-yl]-4-oxobutane-1-sulfonamide

C12H20N4O3S — CID 70770198

IUPAC4-[3-(1H-imidazol-2-yl)piperidin-1-yl]-4-oxobutane-1-sulfonamide
SMILESNS(=O)(=O)CCCC(=O)N1CCCC(c2ncc[nH]2)C1
InChIInChI=1S/C12H20N4O3S/c13-20(18,19)8-2-4-11(17)16-7-1-3-10(9-16)12-14-5-6-15-12/h5-6,10H,1-4,7-9H2,(H,14,15)(H2,13,18,19)
InChIKeyRSIXARRKRQYZSZ-UHFFFAOYSA-N
MW300.38 g/mol
LogP0.18
Rot. Bonds5

About 4-[3-(1H-imidazol-2-yl)piperidin-1-yl]-4-oxobutane-1-sulfonamide

4-[3-(1H-imidazol-2-yl)piperidin-1-yl]-4-oxobutane-1-sulfonamide (PubChem CID 70770198) has the molecular formula C12H20N4O3S and a molecular weight of 300.38 g/mol. Its IUPAC name is 4-[3-(1H-imidazol-2-yl)piperidin-1-yl]-4-oxobutane-1-sulfonamide.

Molecular Properties

Compound Name4-[3-(1H-imidazol-2-yl)piperidin-1-yl]-4-oxobutane-1-sulfonamide
PubChem CID70770198
Molecular FormulaC12H20N4O3S
Molecular Weight300.38 g/mol
Exact Mass300.13
IUPAC Name4-[3-(1H-imidazol-2-yl)piperidin-1-yl]-4-oxobutane-1-sulfonamide
SMILESNS(=O)(=O)CCCC(=O)N1CCCC(c2ncc[nH]2)C1
InChIInChI=1S/C12H20N4O3S/c13-20(18,19)8-2-4-11(17)16-7-1-3-10(9-16)12-14-5-6-15-12/h5-6,10H,1-4,7-9H2,(H,14,15)(H2,13,18,19)
InChIKeyRSIXARRKRQYZSZ-UHFFFAOYSA-N
XLogP0.18
TPSA109.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(1H-imidazol-2-yl)piperidin-1-yl]-4-oxobutane-1-sulfonamide?
The IUPAC name of 4-[3-(1H-imidazol-2-yl)piperidin-1-yl]-4-oxobutane-1-sulfonamide (CID 70770198) is 4-[3-(1H-imidazol-2-yl)piperidin-1-yl]-4-oxobutane-1-sulfonamide.
What is the SMILES notation for 4-[3-(1H-imidazol-2-yl)piperidin-1-yl]-4-oxobutane-1-sulfonamide?
The canonical SMILES for 4-[3-(1H-imidazol-2-yl)piperidin-1-yl]-4-oxobutane-1-sulfonamide is NS(=O)(=O)CCCC(=O)N1CCCC(c2ncc[nH]2)C1.
What is the InChIKey of 4-[3-(1H-imidazol-2-yl)piperidin-1-yl]-4-oxobutane-1-sulfonamide?
The InChIKey is RSIXARRKRQYZSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O3S/c13-20(18,19)8-2-4-11(17)16-7-1-3-10(9-16)12-14-5-6-15-12/h5-6,10H,1-4,7-9H2,(H,14,15)(H2,13,18,19).
What are the key properties of 4-[3-(1H-imidazol-2-yl)piperidin-1-yl]-4-oxobutane-1-sulfonamide?
4-[3-(1H-imidazol-2-yl)piperidin-1-yl]-4-oxobutane-1-sulfonamide has a molecular weight of 300.38 g/mol, XLogP of 0.18, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(1H-imidazol-2-yl)piperidin-1-yl]-4-oxobutane-1-sulfonamide is sourced from PubChem (CID 70770198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).