N-methylsulfonyl-4-(2-oxooxolan-3-yl)piperazine-1-sulfonamide

C9H17N3O6S2 — CID 158905112

IUPACN-methylsulfonyl-4-(2-oxooxolan-3-yl)piperazine-1-sulfonamide
SMILESCS(=O)(=O)NS(=O)(=O)N1CCN(C2CCOC2=O)CC1
InChIInChI=1S/C9H17N3O6S2/c1-19(14,15)10-20(16,17)12-5-3-11(4-6-12)8-2-7-18-9(8)13/h8,10H,2-7H2,1H3
InChIKeyZWBRYGQOKFKSNN-UHFFFAOYSA-N
MW327.38 g/mol
LogP-2.29
Rot. Bonds4

About N-methylsulfonyl-4-(2-oxooxolan-3-yl)piperazine-1-sulfonamide

N-methylsulfonyl-4-(2-oxooxolan-3-yl)piperazine-1-sulfonamide (PubChem CID 158905112) has the molecular formula C9H17N3O6S2 and a molecular weight of 327.38 g/mol. Its IUPAC name is N-methylsulfonyl-4-(2-oxooxolan-3-yl)piperazine-1-sulfonamide.

Molecular Properties

Compound NameN-methylsulfonyl-4-(2-oxooxolan-3-yl)piperazine-1-sulfonamide
PubChem CID158905112
Molecular FormulaC9H17N3O6S2
Molecular Weight327.38 g/mol
Exact Mass327.06
IUPAC NameN-methylsulfonyl-4-(2-oxooxolan-3-yl)piperazine-1-sulfonamide
SMILESCS(=O)(=O)NS(=O)(=O)N1CCN(C2CCOC2=O)CC1
InChIInChI=1S/C9H17N3O6S2/c1-19(14,15)10-20(16,17)12-5-3-11(4-6-12)8-2-7-18-9(8)13/h8,10H,2-7H2,1H3
InChIKeyZWBRYGQOKFKSNN-UHFFFAOYSA-N
XLogP-2.29
TPSA113.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 5-2.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-methylsulfonyl-4-(2-oxooxolan-3-yl)piperazine-1-sulfonamide?
The IUPAC name of N-methylsulfonyl-4-(2-oxooxolan-3-yl)piperazine-1-sulfonamide (CID 158905112) is N-methylsulfonyl-4-(2-oxooxolan-3-yl)piperazine-1-sulfonamide.
What is the SMILES notation for N-methylsulfonyl-4-(2-oxooxolan-3-yl)piperazine-1-sulfonamide?
The canonical SMILES for N-methylsulfonyl-4-(2-oxooxolan-3-yl)piperazine-1-sulfonamide is CS(=O)(=O)NS(=O)(=O)N1CCN(C2CCOC2=O)CC1.
What is the InChIKey of N-methylsulfonyl-4-(2-oxooxolan-3-yl)piperazine-1-sulfonamide?
The InChIKey is ZWBRYGQOKFKSNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O6S2/c1-19(14,15)10-20(16,17)12-5-3-11(4-6-12)8-2-7-18-9(8)13/h8,10H,2-7H2,1H3.
What are the key properties of N-methylsulfonyl-4-(2-oxooxolan-3-yl)piperazine-1-sulfonamide?
N-methylsulfonyl-4-(2-oxooxolan-3-yl)piperazine-1-sulfonamide has a molecular weight of 327.38 g/mol, XLogP of -2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylsulfonyl-4-(2-oxooxolan-3-yl)piperazine-1-sulfonamide is sourced from PubChem (CID 158905112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).