4-methylsulfonyl-N,N-bis(prop-2-enyl)piperazine-1-sulfonamide

C11H21N3O4S2 — CID 136512519

IUPAC4-methylsulfonyl-N,N-bis(prop-2-enyl)piperazine-1-sulfonamide
SMILESC=CCN(CC=C)S(=O)(=O)N1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C11H21N3O4S2/c1-4-6-13(7-5-2)20(17,18)14-10-8-12(9-11-14)19(3,15)16/h4-5H,1-2,6-11H2,3H3
InChIKeyRUSGNOYZSKTVSZ-UHFFFAOYSA-N
MW323.44 g/mol
LogP-0.52
Rot. Bonds7

About 4-methylsulfonyl-N,N-bis(prop-2-enyl)piperazine-1-sulfonamide

4-methylsulfonyl-N,N-bis(prop-2-enyl)piperazine-1-sulfonamide (PubChem CID 136512519) has the molecular formula C11H21N3O4S2 and a molecular weight of 323.44 g/mol. Its IUPAC name is 4-methylsulfonyl-N,N-bis(prop-2-enyl)piperazine-1-sulfonamide.

Molecular Properties

Compound Name4-methylsulfonyl-N,N-bis(prop-2-enyl)piperazine-1-sulfonamide
PubChem CID136512519
Molecular FormulaC11H21N3O4S2
Molecular Weight323.44 g/mol
Exact Mass323.10
IUPAC Name4-methylsulfonyl-N,N-bis(prop-2-enyl)piperazine-1-sulfonamide
SMILESC=CCN(CC=C)S(=O)(=O)N1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C11H21N3O4S2/c1-4-6-13(7-5-2)20(17,18)14-10-8-12(9-11-14)19(3,15)16/h4-5H,1-2,6-11H2,3H3
InChIKeyRUSGNOYZSKTVSZ-UHFFFAOYSA-N
XLogP-0.52
TPSA78.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 5-0.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-methylsulfonyl-N,N-bis(prop-2-enyl)piperazine-1-sulfonamide?
The IUPAC name of 4-methylsulfonyl-N,N-bis(prop-2-enyl)piperazine-1-sulfonamide (CID 136512519) is 4-methylsulfonyl-N,N-bis(prop-2-enyl)piperazine-1-sulfonamide.
What is the SMILES notation for 4-methylsulfonyl-N,N-bis(prop-2-enyl)piperazine-1-sulfonamide?
The canonical SMILES for 4-methylsulfonyl-N,N-bis(prop-2-enyl)piperazine-1-sulfonamide is C=CCN(CC=C)S(=O)(=O)N1CCN(S(C)(=O)=O)CC1.
What is the InChIKey of 4-methylsulfonyl-N,N-bis(prop-2-enyl)piperazine-1-sulfonamide?
The InChIKey is RUSGNOYZSKTVSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O4S2/c1-4-6-13(7-5-2)20(17,18)14-10-8-12(9-11-14)19(3,15)16/h4-5H,1-2,6-11H2,3H3.
What are the key properties of 4-methylsulfonyl-N,N-bis(prop-2-enyl)piperazine-1-sulfonamide?
4-methylsulfonyl-N,N-bis(prop-2-enyl)piperazine-1-sulfonamide has a molecular weight of 323.44 g/mol, XLogP of -0.52, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylsulfonyl-N,N-bis(prop-2-enyl)piperazine-1-sulfonamide is sourced from PubChem (CID 136512519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).