N-[bis(methylsulfanyl)methylidene]piperidine-1-sulfonamide

C8H16N2O2S3 — CID 13191162

IUPACN-[bis(methylsulfanyl)methylidene]piperidine-1-sulfonamide
SMILESCSC(=NS(=O)(=O)N1CCCCC1)SC
InChIInChI=1S/C8H16N2O2S3/c1-13-8(14-2)9-15(11,12)10-6-4-3-5-7-10/h3-7H2,1-2H3
InChIKeyPHVCTSXVYLPRBP-UHFFFAOYSA-N
MW268.43 g/mol
LogP1.80
Rot. Bonds2

About N-[bis(methylsulfanyl)methylidene]piperidine-1-sulfonamide

N-[bis(methylsulfanyl)methylidene]piperidine-1-sulfonamide (PubChem CID 13191162) has the molecular formula C8H16N2O2S3 and a molecular weight of 268.43 g/mol. Its IUPAC name is N-[bis(methylsulfanyl)methylidene]piperidine-1-sulfonamide.

Molecular Properties

Compound NameN-[bis(methylsulfanyl)methylidene]piperidine-1-sulfonamide
PubChem CID13191162
Molecular FormulaC8H16N2O2S3
Molecular Weight268.43 g/mol
Exact Mass268.04
IUPAC NameN-[bis(methylsulfanyl)methylidene]piperidine-1-sulfonamide
SMILESCSC(=NS(=O)(=O)N1CCCCC1)SC
InChIInChI=1S/C8H16N2O2S3/c1-13-8(14-2)9-15(11,12)10-6-4-3-5-7-10/h3-7H2,1-2H3
InChIKeyPHVCTSXVYLPRBP-UHFFFAOYSA-N
XLogP1.80
TPSA49.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.43
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze N-[bis(methylsulfanyl)methylidene]piperidine-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

hydroxy-methylidene-oxo-piperidin-1-yl-λ6-sulfane
CID 91537889
piperidine-1-sulfonic acid
CID 558632
(1E)-1-[amino(anilino)methylidene]-2-piperidin-1-ylsulfonylguanidine
CID 14981776
methyl (2Z)-5-(4-chlorophenyl)-4-phenyl-N-piperidin-1-ylsulfonyl-3,4-dihydropyrazole-2-carboximidothioate
CID 87676091
1-(4-piperidin-1-ylsulfonylpiperazin-1-yl)sulfonylazepane
CID 2238490
N-methylazocane-1-sulfonamide
CID 130686123
N-methylazepane-1-sulfonamide
CID 28784575
1-methyliodanuidylsulfonylpiperidine
CID 147964763
pyrrolidine-1-sulfonic acid;hydrochloride
CID 174453164
1-(1-piperidin-1-ylsulfonylcyclopentyl)ethanone
CID 115048528
N-piperidin-1-ylsulfonylacetamide
CID 59405916
(NZ)-N-(1-piperidin-1-ylethylidene)methanesulfonamide
CID 142943744

Frequently Asked Questions

What is the IUPAC name of N-[bis(methylsulfanyl)methylidene]piperidine-1-sulfonamide?
The IUPAC name of N-[bis(methylsulfanyl)methylidene]piperidine-1-sulfonamide (CID 13191162) is N-[bis(methylsulfanyl)methylidene]piperidine-1-sulfonamide.
What is the SMILES notation for N-[bis(methylsulfanyl)methylidene]piperidine-1-sulfonamide?
The canonical SMILES for N-[bis(methylsulfanyl)methylidene]piperidine-1-sulfonamide is CSC(=NS(=O)(=O)N1CCCCC1)SC.
What is the InChIKey of N-[bis(methylsulfanyl)methylidene]piperidine-1-sulfonamide?
The InChIKey is PHVCTSXVYLPRBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O2S3/c1-13-8(14-2)9-15(11,12)10-6-4-3-5-7-10/h3-7H2,1-2H3.
What are the key properties of N-[bis(methylsulfanyl)methylidene]piperidine-1-sulfonamide?
N-[bis(methylsulfanyl)methylidene]piperidine-1-sulfonamide has a molecular weight of 268.43 g/mol, XLogP of 1.80, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[bis(methylsulfanyl)methylidene]piperidine-1-sulfonamide is sourced from PubChem (CID 13191162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).