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'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-(2-sulfanylidene-1H-pyridin-3-yl)methanone
CID 18167691
N,N-dimethyl-4-(2-methylbenzoyl)-1,4-diazepane-1-sulfonamide
CID 110798257
4-(2-chloropyridine-3-carbonyl)-N,N-dimethylpiperazine-1-sulfonamide
CID 33006202
[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-1,4-diazepan-1-yl]-(2-sulfanylidene-1H-pyridin-3-yl)methanone
CID 43046598
1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-[4-(2-sulfanylidene-1H-pyridine-3-carbonyl)piperazin-1-yl]ethanone
CID 25490308
4-(2,5-dimethyl-1H-pyrrole-3-carbonyl)-N,N-dimethylpiperazine-1-sulfonamide
CID 110805088
[4-(2-fluorophenyl)piperazin-1-yl]-(2-sulfanylidene-1H-pyridin-3-yl)methanone
CID 18167730
[4-(2-phenylethyl)piperazin-1-yl]-(2-sulfanylidene-1H-pyridin-3-yl)methanone
CID 18167836
(4-pyrazol-1-ylpiperidin-1-yl)-(2-sulfanylidene-1H-pyridin-3-yl)methanone
CID 99616335
N,N-dimethyl-4-(3-pyrazol-1-ylpyridine-4-carbonyl)piperazine-1-sulfonamide
CID 166259448
[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-(2-sulfanylidene-1H-pyridin-3-yl)methanone
CID 43046457
[4-(1-benzofuran-2-carbonyl)piperazin-1-yl]-(2-sulfanylidene-1H-pyridin-3-yl)methanone
CID 46416874

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).