4-(dimethylamino)-N-methylpiperidine-1-carbothioamide

C9H19N3S — CID 115583416

IUPAC4-(dimethylamino)-N-methylpiperidine-1-carbothioamide
SMILESCNC(=S)N1CCC(N(C)C)CC1
InChIInChI=1S/C9H19N3S/c1-10-9(13)12-6-4-8(5-7-12)11(2)3/h8H,4-7H2,1-3H3,(H,10,13)
InChIKeyMNVPVVJSYBEGCB-UHFFFAOYSA-N
MW201.34 g/mol
LogP0.52
Rot. Bonds1

About 4-(dimethylamino)-N-methylpiperidine-1-carbothioamide

4-(dimethylamino)-N-methylpiperidine-1-carbothioamide (PubChem CID 115583416) has the molecular formula C9H19N3S and a molecular weight of 201.34 g/mol. Its IUPAC name is 4-(dimethylamino)-N-methylpiperidine-1-carbothioamide.

Molecular Properties

Compound Name4-(dimethylamino)-N-methylpiperidine-1-carbothioamide
PubChem CID115583416
Molecular FormulaC9H19N3S
Molecular Weight201.34 g/mol
Exact Mass201.13
IUPAC Name4-(dimethylamino)-N-methylpiperidine-1-carbothioamide
SMILESCNC(=S)N1CCC(N(C)C)CC1
InChIInChI=1S/C9H19N3S/c1-10-9(13)12-6-4-8(5-7-12)11(2)3/h8H,4-7H2,1-3H3,(H,10,13)
InChIKeyMNVPVVJSYBEGCB-UHFFFAOYSA-N
XLogP0.52
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.34
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(dimethylamino)-N-ethylpiperidine-1-carbothioamide
CID 115583418
1-N,4-N-dimethylpiperazine-1,4-dicarbothioamide
CID 2731758
N-cyclohexyl-4-(dimethylamino)piperidine-1-carbothioamide
CID 113224022
(3S)-3-methoxy-N-methylpyrrolidine-1-carbothioamide;hydrochloride
CID 131086314
1-[(E)-but-2-en-2-yl]-N,N-dimethylpiperidin-4-amine
CID 144864042
4-(dimethylamino)-N,N-dimethylpiperidine-1-carboxamide
CID 110470375
2-[4-(dimethylamino)piperidin-1-yl]-2-oxoacetic acid
CID 43586380
3-(dimethylamino)-N-(2-methylpropyl)pyrrolidine-1-carbothioamide
CID 115609923
N-cyclopropyl-4-(dimethylamino)piperidine-1-carboxamide
CID 115580147
4-(dimethylamino)piperidine-1-carbonyl chloride;hydrochloride
CID 155821051
1-[4-(dimethylamino)piperidin-1-yl]ethanone;propane
CID 143677842
1-(C,N-dimethylcarbonimidoyl)-N,N-dimethylpiperidin-4-amine
CID 143990258

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-N-methylpiperidine-1-carbothioamide?
The IUPAC name of 4-(dimethylamino)-N-methylpiperidine-1-carbothioamide (CID 115583416) is 4-(dimethylamino)-N-methylpiperidine-1-carbothioamide.
What is the SMILES notation for 4-(dimethylamino)-N-methylpiperidine-1-carbothioamide?
The canonical SMILES for 4-(dimethylamino)-N-methylpiperidine-1-carbothioamide is CNC(=S)N1CCC(N(C)C)CC1.
What is the InChIKey of 4-(dimethylamino)-N-methylpiperidine-1-carbothioamide?
The InChIKey is MNVPVVJSYBEGCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3S/c1-10-9(13)12-6-4-8(5-7-12)11(2)3/h8H,4-7H2,1-3H3,(H,10,13).
What are the key properties of 4-(dimethylamino)-N-methylpiperidine-1-carbothioamide?
4-(dimethylamino)-N-methylpiperidine-1-carbothioamide has a molecular weight of 201.34 g/mol, XLogP of 0.52, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-N-methylpiperidine-1-carbothioamide is sourced from PubChem (CID 115583416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).