4-(dimethylsulfamoylamino)-1-methylpiperidine-4-carbothioamide

C9H20N4O2S2 — CID 61123385

IUPAC4-(dimethylsulfamoylamino)-1-methylpiperidine-4-carbothioamide
SMILESCN1CCC(NS(=O)(=O)N(C)C)(C(N)=S)CC1
InChIInChI=1S/C9H20N4O2S2/c1-12(2)17(14,15)11-9(8(10)16)4-6-13(3)7-5-9/h11H,4-7H2,1-3H3,(H2,10,16)
InChIKeyKAMZSSFLRDZURB-UHFFFAOYSA-N
MW280.42 g/mol
LogP-0.87
Rot. Bonds4

About 4-(dimethylsulfamoylamino)-1-methylpiperidine-4-carbothioamide

4-(dimethylsulfamoylamino)-1-methylpiperidine-4-carbothioamide (PubChem CID 61123385) has the molecular formula C9H20N4O2S2 and a molecular weight of 280.42 g/mol. Its IUPAC name is 4-(dimethylsulfamoylamino)-1-methylpiperidine-4-carbothioamide.

Molecular Properties

Compound Name4-(dimethylsulfamoylamino)-1-methylpiperidine-4-carbothioamide
PubChem CID61123385
Molecular FormulaC9H20N4O2S2
Molecular Weight280.42 g/mol
Exact Mass280.10
IUPAC Name4-(dimethylsulfamoylamino)-1-methylpiperidine-4-carbothioamide
SMILESCN1CCC(NS(=O)(=O)N(C)C)(C(N)=S)CC1
InChIInChI=1S/C9H20N4O2S2/c1-12(2)17(14,15)11-9(8(10)16)4-6-13(3)7-5-9/h11H,4-7H2,1-3H3,(H2,10,16)
InChIKeyKAMZSSFLRDZURB-UHFFFAOYSA-N
XLogP-0.87
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.42
LogP ≤ 5-0.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-(dimethylsulfamoylamino)-1-methylpiperidine-4-carbothioamide 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

1-Methyl-4-(2,2,2-trifluoroethylsulfamoylamino)piperidine-4-carbothioamide
CID 114808187
3-[Methyl-(4-methylpiperidin-1-yl)sulfonylamino]propanethioamide
CID 28785103
4-(Aminomethyl)-4-(dimethylsulfamoylamino)-1-methylpiperidine
CID 28940544
4-(Aminomethyl)-4-(diethylsulfamoylamino)-1-methylpiperidine
CID 28940564
4-(Aminomethyl)-1-methyl-4-(sulfamoylamino)piperidine
CID 28940572
1-(Dimethylsulfamoyl)piperidine-4-carbothioamide
CID 39354987
4-(Aminomethyl)-1-methyl-4-[[methyl(propan-2-yl)sulfamoyl]amino]piperidine
CID 54947719
3-[Ethyl-(4-methylpiperidin-1-yl)sulfonylamino]-2-methylpropanethioamide
CID 54987328
2-Methyl-3-[methyl-(4-methylpiperidin-1-yl)sulfonylamino]propanethioamide
CID 54991774
3-[Ethyl-(4-methylpiperidin-1-yl)sulfonylamino]propanethioamide
CID 54992494
3-[Cyclopropyl-(4-methylpiperidin-1-yl)sulfonylamino]propanethioamide
CID 54997286
3-[(4-Methylpiperidin-1-yl)sulfonyl-propan-2-ylamino]propanethioamide
CID 54998047

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylsulfamoylamino)-1-methylpiperidine-4-carbothioamide?
The IUPAC name of 4-(dimethylsulfamoylamino)-1-methylpiperidine-4-carbothioamide (CID 61123385) is 4-(dimethylsulfamoylamino)-1-methylpiperidine-4-carbothioamide.
What is the SMILES notation for 4-(dimethylsulfamoylamino)-1-methylpiperidine-4-carbothioamide?
The canonical SMILES for 4-(dimethylsulfamoylamino)-1-methylpiperidine-4-carbothioamide is CN1CCC(NS(=O)(=O)N(C)C)(C(N)=S)CC1.
What is the InChIKey of 4-(dimethylsulfamoylamino)-1-methylpiperidine-4-carbothioamide?
The InChIKey is KAMZSSFLRDZURB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N4O2S2/c1-12(2)17(14,15)11-9(8(10)16)4-6-13(3)7-5-9/h11H,4-7H2,1-3H3,(H2,10,16).
What are the key properties of 4-(dimethylsulfamoylamino)-1-methylpiperidine-4-carbothioamide?
4-(dimethylsulfamoylamino)-1-methylpiperidine-4-carbothioamide has a molecular weight of 280.42 g/mol, XLogP of -0.87, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylsulfamoylamino)-1-methylpiperidine-4-carbothioamide is sourced from PubChem (CID 61123385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).