N,N-dimethyl-4-(2-sulfanylidene-1H-pyridine-3-carbonyl)piperazine-1-sulfonamide

C12H18N4O3S2 — CID 32505607

IUPACN,N-dimethyl-4-(2-sulfanylidene-1H-pyridine-3-carbonyl)piperazine-1-sulfonamide
SMILESCN(C)S(=O)(=O)N1CCN(C(=O)c2ccc[nH]c2=S)CC1
InChIInChI=1S/C12H18N4O3S2/c1-14(2)21(18,19)16-8-6-15(7-9-16)12(17)10-4-3-5-13-11(10)20/h3-5H,6-9H2,1-2H3,(H,13,20)
InChIKeyZWOGXMQBPILUDI-UHFFFAOYSA-N
MW330.44 g/mol
LogP0.31
Rot. Bonds3

About N,N-dimethyl-4-(2-sulfanylidene-1H-pyridine-3-carbonyl)piperazine-1-sulfonamide

N,N-dimethyl-4-(2-sulfanylidene-1H-pyridine-3-carbonyl)piperazine-1-sulfonamide (PubChem CID 32505607) has the molecular formula C12H18N4O3S2 and a molecular weight of 330.44 g/mol. Its IUPAC name is N,N-dimethyl-4-(2-sulfanylidene-1H-pyridine-3-carbonyl)piperazine-1-sulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-4-(2-sulfanylidene-1H-pyridine-3-carbonyl)piperazine-1-sulfonamide
PubChem CID32505607
Molecular FormulaC12H18N4O3S2
Molecular Weight330.44 g/mol
Exact Mass330.08
IUPAC NameN,N-dimethyl-4-(2-sulfanylidene-1H-pyridine-3-carbonyl)piperazine-1-sulfonamide
SMILESCN(C)S(=O)(=O)N1CCN(C(=O)c2ccc[nH]c2=S)CC1
InChIInChI=1S/C12H18N4O3S2/c1-14(2)21(18,19)16-8-6-15(7-9-16)12(17)10-4-3-5-13-11(10)20/h3-5H,6-9H2,1-2H3,(H,13,20)
InChIKeyZWOGXMQBPILUDI-UHFFFAOYSA-N
XLogP0.31
TPSA76.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.44
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-(2-sulfanylidene-1H-pyridine-3-carbonyl)piperazine-1-sulfonamide?
The IUPAC name of N,N-dimethyl-4-(2-sulfanylidene-1H-pyridine-3-carbonyl)piperazine-1-sulfonamide (CID 32505607) is N,N-dimethyl-4-(2-sulfanylidene-1H-pyridine-3-carbonyl)piperazine-1-sulfonamide.
What is the SMILES notation for N,N-dimethyl-4-(2-sulfanylidene-1H-pyridine-3-carbonyl)piperazine-1-sulfonamide?
The canonical SMILES for N,N-dimethyl-4-(2-sulfanylidene-1H-pyridine-3-carbonyl)piperazine-1-sulfonamide is CN(C)S(=O)(=O)N1CCN(C(=O)c2ccc[nH]c2=S)CC1.
What is the InChIKey of N,N-dimethyl-4-(2-sulfanylidene-1H-pyridine-3-carbonyl)piperazine-1-sulfonamide?
The InChIKey is ZWOGXMQBPILUDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O3S2/c1-14(2)21(18,19)16-8-6-15(7-9-16)12(17)10-4-3-5-13-11(10)20/h3-5H,6-9H2,1-2H3,(H,13,20).
What are the key properties of N,N-dimethyl-4-(2-sulfanylidene-1H-pyridine-3-carbonyl)piperazine-1-sulfonamide?
N,N-dimethyl-4-(2-sulfanylidene-1H-pyridine-3-carbonyl)piperazine-1-sulfonamide has a molecular weight of 330.44 g/mol, XLogP of 0.31, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-(2-sulfanylidene-1H-pyridine-3-carbonyl)piperazine-1-sulfonamide is sourced from PubChem (CID 32505607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).