2,3-dimethyl-N-propan-2-ylpiperidine-1-carbothioamide

C11H22N2S — CID 115646992

IUPAC2,3-dimethyl-N-propan-2-ylpiperidine-1-carbothioamide
SMILESCC(C)NC(=S)N1CCCC(C)C1C
InChIInChI=1S/C11H22N2S/c1-8(2)12-11(14)13-7-5-6-9(3)10(13)4/h8-10H,5-7H2,1-4H3,(H,12,14)
InChIKeyDLXUFQLFPPICRY-UHFFFAOYSA-N
MW214.38 g/mol
LogP2.39
Rot. Bonds1

About 2,3-dimethyl-N-propan-2-ylpiperidine-1-carbothioamide

2,3-dimethyl-N-propan-2-ylpiperidine-1-carbothioamide (PubChem CID 115646992) has the molecular formula C11H22N2S and a molecular weight of 214.38 g/mol. Its IUPAC name is 2,3-dimethyl-N-propan-2-ylpiperidine-1-carbothioamide.

Molecular Properties

Compound Name2,3-dimethyl-N-propan-2-ylpiperidine-1-carbothioamide
PubChem CID115646992
Molecular FormulaC11H22N2S
Molecular Weight214.38 g/mol
Exact Mass214.15
IUPAC Name2,3-dimethyl-N-propan-2-ylpiperidine-1-carbothioamide
SMILESCC(C)NC(=S)N1CCCC(C)C1C
InChIInChI=1S/C11H22N2S/c1-8(2)12-11(14)13-7-5-6-9(3)10(13)4/h8-10H,5-7H2,1-4H3,(H,12,14)
InChIKeyDLXUFQLFPPICRY-UHFFFAOYSA-N
XLogP2.39
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.38
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2,3-dimethyl-N-propan-2-ylpiperidine-1-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

(4aS,8aR)-N-propan-2-yl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbothioamide
CID 27209341
1-(2,3-dimethylpiperidin-1-yl)-2-(methylamino)propan-1-one
CID 62637898
2-amino-1-(2,3-dimethylpiperidin-1-yl)propan-1-one
CID 62123034
(2R)-2-[(2,3-dimethylpiperidine-1-carbonyl)amino]propanoic acid
CID 78986525
1-(2,3-dimethylpiperidin-1-yl)-2-methoxypropan-1-one
CID 115647053
2-ethyl-N-propan-2-ylpiperidine-1-carbothioamide
CID 19654742
(2R)-2-[(2,3-dimethylpiperidine-1-carbonyl)amino]-3-methylbutanoic acid
CID 79010361
3,4-dimethyl-N-propan-2-ylpiperidine-1-carbothioamide
CID 115871819
N-cyclopropyl-2,3-dimethylpyrrolidine-1-carbothioamide
CID 130634932
(2R)-2-amino-1-(2,3-dimethylpiperidin-1-yl)-4-methylpentan-1-one
CID 104903392
5-(2,3-dimethylpiperidin-1-yl)-3-methyl-5-oxopentanoic acid
CID 62964423
2,3-dimethylpiperidine-1-carbonyl chloride
CID 79886901

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-N-propan-2-ylpiperidine-1-carbothioamide?
The IUPAC name of 2,3-dimethyl-N-propan-2-ylpiperidine-1-carbothioamide (CID 115646992) is 2,3-dimethyl-N-propan-2-ylpiperidine-1-carbothioamide.
What is the SMILES notation for 2,3-dimethyl-N-propan-2-ylpiperidine-1-carbothioamide?
The canonical SMILES for 2,3-dimethyl-N-propan-2-ylpiperidine-1-carbothioamide is CC(C)NC(=S)N1CCCC(C)C1C.
What is the InChIKey of 2,3-dimethyl-N-propan-2-ylpiperidine-1-carbothioamide?
The InChIKey is DLXUFQLFPPICRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2S/c1-8(2)12-11(14)13-7-5-6-9(3)10(13)4/h8-10H,5-7H2,1-4H3,(H,12,14).
What are the key properties of 2,3-dimethyl-N-propan-2-ylpiperidine-1-carbothioamide?
2,3-dimethyl-N-propan-2-ylpiperidine-1-carbothioamide has a molecular weight of 214.38 g/mol, XLogP of 2.39, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-N-propan-2-ylpiperidine-1-carbothioamide is sourced from PubChem (CID 115646992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).