N-[dimethyl(oxo)-λ6-sulfanylidene]-4-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]piperazine-1-sulfonamide

C12H23N5O3S2 — CID 126838002

IUPACN-[dimethyl(oxo)-λ6-sulfanylidene]-4-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]piperazine-1-sulfonamide
SMILESCc1n[nH]c(C)c1CN1CCN(S(=O)(=O)N=S(C)(C)=O)CC1
InChIInChI=1S/C12H23N5O3S2/c1-10-12(11(2)14-13-10)9-16-5-7-17(8-6-16)22(19,20)15-21(3,4)18/h5-9H2,1-4H3,(H,13,14)
InChIKeyFTRSWFKSYAFFQM-UHFFFAOYSA-N
MW349.48 g/mol
LogP0.12
Rot. Bonds4

About N-[dimethyl(oxo)-λ6-sulfanylidene]-4-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]piperazine-1-sulfonamide

N-[dimethyl(oxo)-λ6-sulfanylidene]-4-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]piperazine-1-sulfonamide (PubChem CID 126838002) has the molecular formula C12H23N5O3S2 and a molecular weight of 349.48 g/mol. Its IUPAC name is N-[dimethyl(oxo)-λ6-sulfanylidene]-4-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]piperazine-1-sulfonamide.

Molecular Properties

Compound NameN-[dimethyl(oxo)-λ6-sulfanylidene]-4-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]piperazine-1-sulfonamide
PubChem CID126838002
Molecular FormulaC12H23N5O3S2
Molecular Weight349.48 g/mol
Exact Mass349.12
IUPAC NameN-[dimethyl(oxo)-λ6-sulfanylidene]-4-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]piperazine-1-sulfonamide
SMILESCc1n[nH]c(C)c1CN1CCN(S(=O)(=O)N=S(C)(C)=O)CC1
InChIInChI=1S/C12H23N5O3S2/c1-10-12(11(2)14-13-10)9-16-5-7-17(8-6-16)22(19,20)15-21(3,4)18/h5-9H2,1-4H3,(H,13,14)
InChIKeyFTRSWFKSYAFFQM-UHFFFAOYSA-N
XLogP0.12
TPSA98.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 50.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[dimethyl(oxo)-λ6-sulfanylidene]-4-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]piperazine-1-sulfonamide with MolForge

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Related Compounds

ethyl 1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-methylsulfonylpiperidine-4-carboxylate
CID 167744757
1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]piperidin-3-one
CID 112709136
7-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-methyl-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one
CID 91922539
1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-[(4-fluorophenyl)methyl]piperazine
CID 110398726
9-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3,9-diazaspiro[5.6]dodecane
CID 74248039
(3S)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]piperidine-3-carboxylic acid
CID 129494393
(3S,4S)-4-cyclopropyl-1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]pyrrolidine-3-carboxylic acid
CID 72861162
2-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-9-one
CID 50949222
N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-4-sulfamoylpiperazine-1-carboxamide
CID 119069467
1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-methylsulfonylpiperazine
CID 60700150
2-[4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperazin-1-yl]acetonitrile
CID 28705369
1-[3-(4-chlorophenyl)propyl]-4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperazine
CID 110414132

Frequently Asked Questions

What is the IUPAC name of N-[dimethyl(oxo)-λ6-sulfanylidene]-4-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]piperazine-1-sulfonamide?
The IUPAC name of N-[dimethyl(oxo)-λ6-sulfanylidene]-4-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]piperazine-1-sulfonamide (CID 126838002) is N-[dimethyl(oxo)-λ6-sulfanylidene]-4-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]piperazine-1-sulfonamide.
What is the SMILES notation for N-[dimethyl(oxo)-λ6-sulfanylidene]-4-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]piperazine-1-sulfonamide?
The canonical SMILES for N-[dimethyl(oxo)-λ6-sulfanylidene]-4-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]piperazine-1-sulfonamide is Cc1n[nH]c(C)c1CN1CCN(S(=O)(=O)N=S(C)(C)=O)CC1.
What is the InChIKey of N-[dimethyl(oxo)-λ6-sulfanylidene]-4-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]piperazine-1-sulfonamide?
The InChIKey is FTRSWFKSYAFFQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N5O3S2/c1-10-12(11(2)14-13-10)9-16-5-7-17(8-6-16)22(19,20)15-21(3,4)18/h5-9H2,1-4H3,(H,13,14).
What are the key properties of N-[dimethyl(oxo)-λ6-sulfanylidene]-4-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]piperazine-1-sulfonamide?
N-[dimethyl(oxo)-λ6-sulfanylidene]-4-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]piperazine-1-sulfonamide has a molecular weight of 349.48 g/mol, XLogP of 0.12, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[dimethyl(oxo)-λ6-sulfanylidene]-4-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]piperazine-1-sulfonamide is sourced from PubChem (CID 126838002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).