N-cyclopropyl-N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]methanesulfonamide

C15H21N3O5S — CID 113147911

IUPACN-cyclopropyl-N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]methanesulfonamide
SMILESCS(=O)(=O)N(CC(=O)N1CCN(C(=O)c2ccco2)CC1)C1CC1
InChIInChI=1S/C15H21N3O5S/c1-24(21,22)18(12-4-5-12)11-14(19)16-6-8-17(9-7-16)15(20)13-3-2-10-23-13/h2-3,10,12H,4-9,11H2,1H3
InChIKeyCSDGAMVIXZYMJS-UHFFFAOYSA-N
MW355.42 g/mol
LogP-0.01
Rot. Bonds5

About N-cyclopropyl-N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]methanesulfonamide

N-cyclopropyl-N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]methanesulfonamide (PubChem CID 113147911) has the molecular formula C15H21N3O5S and a molecular weight of 355.42 g/mol. Its IUPAC name is N-cyclopropyl-N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]methanesulfonamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]methanesulfonamide
PubChem CID113147911
Molecular FormulaC15H21N3O5S
Molecular Weight355.42 g/mol
Exact Mass355.12
IUPAC NameN-cyclopropyl-N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]methanesulfonamide
SMILESCS(=O)(=O)N(CC(=O)N1CCN(C(=O)c2ccco2)CC1)C1CC1
InChIInChI=1S/C15H21N3O5S/c1-24(21,22)18(12-4-5-12)11-14(19)16-6-8-17(9-7-16)15(20)13-3-2-10-23-13/h2-3,10,12H,4-9,11H2,1H3
InChIKeyCSDGAMVIXZYMJS-UHFFFAOYSA-N
XLogP-0.01
TPSA91.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.42
LogP ≤ 5-0.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]methanesulfonamide?
The IUPAC name of N-cyclopropyl-N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]methanesulfonamide (CID 113147911) is N-cyclopropyl-N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]methanesulfonamide.
What is the SMILES notation for N-cyclopropyl-N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]methanesulfonamide?
The canonical SMILES for N-cyclopropyl-N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]methanesulfonamide is CS(=O)(=O)N(CC(=O)N1CCN(C(=O)c2ccco2)CC1)C1CC1.
What is the InChIKey of N-cyclopropyl-N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]methanesulfonamide?
The InChIKey is CSDGAMVIXZYMJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O5S/c1-24(21,22)18(12-4-5-12)11-14(19)16-6-8-17(9-7-16)15(20)13-3-2-10-23-13/h2-3,10,12H,4-9,11H2,1H3.
What are the key properties of N-cyclopropyl-N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]methanesulfonamide?
N-cyclopropyl-N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]methanesulfonamide has a molecular weight of 355.42 g/mol, XLogP of -0.01, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]methanesulfonamide is sourced from PubChem (CID 113147911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).