1-[3-(dimethylamino)propyl]piperidine-4-carbothioamide

C11H23N3S — CID 114525377

IUPAC1-[3-(dimethylamino)propyl]piperidine-4-carbothioamide
SMILESCN(C)CCCN1CCC(C(N)=S)CC1
InChIInChI=1S/C11H23N3S/c1-13(2)6-3-7-14-8-4-10(5-9-14)11(12)15/h10H,3-9H2,1-2H3,(H2,12,15)
InChIKeyWGSOQKWXPAQBJU-UHFFFAOYSA-N
MW229.39 g/mol
LogP0.94
Rot. Bonds5

About 1-[3-(dimethylamino)propyl]piperidine-4-carbothioamide

1-[3-(dimethylamino)propyl]piperidine-4-carbothioamide (PubChem CID 114525377) has the molecular formula C11H23N3S and a molecular weight of 229.39 g/mol. Its IUPAC name is 1-[3-(dimethylamino)propyl]piperidine-4-carbothioamide.

Molecular Properties

Compound Name1-[3-(dimethylamino)propyl]piperidine-4-carbothioamide
PubChem CID114525377
Molecular FormulaC11H23N3S
Molecular Weight229.39 g/mol
Exact Mass229.16
IUPAC Name1-[3-(dimethylamino)propyl]piperidine-4-carbothioamide
SMILESCN(C)CCCN1CCC(C(N)=S)CC1
InChIInChI=1S/C11H23N3S/c1-13(2)6-3-7-14-8-4-10(5-9-14)11(12)15/h10H,3-9H2,1-2H3,(H2,12,15)
InChIKeyWGSOQKWXPAQBJU-UHFFFAOYSA-N
XLogP0.94
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.39
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-propylpiperidine-4-carbothioamide
CID 39237916
1-[3-(dimethylamino)propyl]piperidin-4-ol
CID 82075263
methyl 1-[3-(dimethylamino)propyl]piperidine-4-carboxylate
CID 115630551
3-(aziridin-1-yl)-N,N-dimethylpropan-1-amine
CID 154296752
(3R)-1-[3-(dimethylamino)propyl]pyrrolidin-3-amine
CID 92916692
2-[[1-[3-(dimethylamino)propyl]piperidin-4-yl]methyl-(2-hydroxyethyl)amino]ethanol
CID 54060629
N,N-dimethyl-3-(4-methylpiperazin-1-yl)propan-1-amine
CID 13330581
4-carbamothioyl-N,N-dimethylpiperidine-1-carboxamide
CID 79154300
1-[2-(dimethylamino)ethyl]piperidine-4-carboxylic acid
CID 6484124
5-[4-[(dimethylamino)methyl]piperidin-1-yl]pentanethioamide
CID 54985924
N,N-dimethyl-3-[4-[2-(methylamino)ethyl]piperidin-1-yl]propan-1-amine
CID 114526027
ethyl (3R)-1-[3-(dimethylamino)propyl]piperidine-3-carboxylate
CID 103785632

Frequently Asked Questions

What is the IUPAC name of 1-[3-(dimethylamino)propyl]piperidine-4-carbothioamide?
The IUPAC name of 1-[3-(dimethylamino)propyl]piperidine-4-carbothioamide (CID 114525377) is 1-[3-(dimethylamino)propyl]piperidine-4-carbothioamide.
What is the SMILES notation for 1-[3-(dimethylamino)propyl]piperidine-4-carbothioamide?
The canonical SMILES for 1-[3-(dimethylamino)propyl]piperidine-4-carbothioamide is CN(C)CCCN1CCC(C(N)=S)CC1.
What is the InChIKey of 1-[3-(dimethylamino)propyl]piperidine-4-carbothioamide?
The InChIKey is WGSOQKWXPAQBJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3S/c1-13(2)6-3-7-14-8-4-10(5-9-14)11(12)15/h10H,3-9H2,1-2H3,(H2,12,15).
What are the key properties of 1-[3-(dimethylamino)propyl]piperidine-4-carbothioamide?
1-[3-(dimethylamino)propyl]piperidine-4-carbothioamide has a molecular weight of 229.39 g/mol, XLogP of 0.94, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(dimethylamino)propyl]piperidine-4-carbothioamide is sourced from PubChem (CID 114525377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).