N-[dimethyl(oxo)-λ6-sulfanylidene]-4-pent-4-enoylpiperazine-1-sulfonamide

C11H21N3O4S2 — CID 167750163

IUPACN-[dimethyl(oxo)-λ6-sulfanylidene]-4-pent-4-enoylpiperazine-1-sulfonamide
SMILESC=CCCC(=O)N1CCN(S(=O)(=O)N=S(C)(C)=O)CC1
InChIInChI=1S/C11H21N3O4S2/c1-4-5-6-11(15)13-7-9-14(10-8-13)20(17,18)12-19(2,3)16/h4H,1,5-10H2,2-3H3
InChIKeyMTOXNXNXBQBFGP-UHFFFAOYSA-N
MW323.44 g/mol
LogP0.07
Rot. Bonds5

About N-[dimethyl(oxo)-λ6-sulfanylidene]-4-pent-4-enoylpiperazine-1-sulfonamide

N-[dimethyl(oxo)-λ6-sulfanylidene]-4-pent-4-enoylpiperazine-1-sulfonamide (PubChem CID 167750163) has the molecular formula C11H21N3O4S2 and a molecular weight of 323.44 g/mol. Its IUPAC name is N-[dimethyl(oxo)-λ6-sulfanylidene]-4-pent-4-enoylpiperazine-1-sulfonamide.

Molecular Properties

Compound NameN-[dimethyl(oxo)-λ6-sulfanylidene]-4-pent-4-enoylpiperazine-1-sulfonamide
PubChem CID167750163
Molecular FormulaC11H21N3O4S2
Molecular Weight323.44 g/mol
Exact Mass323.10
IUPAC NameN-[dimethyl(oxo)-λ6-sulfanylidene]-4-pent-4-enoylpiperazine-1-sulfonamide
SMILESC=CCCC(=O)N1CCN(S(=O)(=O)N=S(C)(C)=O)CC1
InChIInChI=1S/C11H21N3O4S2/c1-4-5-6-11(15)13-7-9-14(10-8-13)20(17,18)12-19(2,3)16/h4H,1,5-10H2,2-3H3
InChIKeyMTOXNXNXBQBFGP-UHFFFAOYSA-N
XLogP0.07
TPSA87.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 50.07
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 N-[dimethyl(oxo)-λ6-sulfanylidene]-4-pent-4-enoylpiperazine-1-sulfonamide?
The IUPAC name of N-[dimethyl(oxo)-λ6-sulfanylidene]-4-pent-4-enoylpiperazine-1-sulfonamide (CID 167750163) is N-[dimethyl(oxo)-λ6-sulfanylidene]-4-pent-4-enoylpiperazine-1-sulfonamide.
What is the SMILES notation for N-[dimethyl(oxo)-λ6-sulfanylidene]-4-pent-4-enoylpiperazine-1-sulfonamide?
The canonical SMILES for N-[dimethyl(oxo)-λ6-sulfanylidene]-4-pent-4-enoylpiperazine-1-sulfonamide is C=CCCC(=O)N1CCN(S(=O)(=O)N=S(C)(C)=O)CC1.
What is the InChIKey of N-[dimethyl(oxo)-λ6-sulfanylidene]-4-pent-4-enoylpiperazine-1-sulfonamide?
The InChIKey is MTOXNXNXBQBFGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O4S2/c1-4-5-6-11(15)13-7-9-14(10-8-13)20(17,18)12-19(2,3)16/h4H,1,5-10H2,2-3H3.
What are the key properties of N-[dimethyl(oxo)-λ6-sulfanylidene]-4-pent-4-enoylpiperazine-1-sulfonamide?
N-[dimethyl(oxo)-λ6-sulfanylidene]-4-pent-4-enoylpiperazine-1-sulfonamide has a molecular weight of 323.44 g/mol, XLogP of 0.07, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[dimethyl(oxo)-λ6-sulfanylidene]-4-pent-4-enoylpiperazine-1-sulfonamide is sourced from PubChem (CID 167750163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).