2-(diethylamino)piperidine-1-carbothialdehyde

C10H20N2S — CID 54211378

IUPAC2-(diethylamino)piperidine-1-carbothialdehyde
SMILESCCN(CC)C1CCCCN1C=S
InChIInChI=1S/C10H20N2S/c1-3-11(4-2)10-7-5-6-8-12(10)9-13/h9-10H,3-8H2,1-2H3
InChIKeyFRHRCXIFKHQJNK-UHFFFAOYSA-N
MW200.35 g/mol
LogP2.10
Rot. Bonds4

About 2-(diethylamino)piperidine-1-carbothialdehyde

2-(diethylamino)piperidine-1-carbothialdehyde (PubChem CID 54211378) has the molecular formula C10H20N2S and a molecular weight of 200.35 g/mol. Its IUPAC name is 2-(diethylamino)piperidine-1-carbothialdehyde.

Molecular Properties

Compound Name2-(diethylamino)piperidine-1-carbothialdehyde
PubChem CID54211378
Molecular FormulaC10H20N2S
Molecular Weight200.35 g/mol
Exact Mass200.13
IUPAC Name2-(diethylamino)piperidine-1-carbothialdehyde
SMILESCCN(CC)C1CCCCN1C=S
InChIInChI=1S/C10H20N2S/c1-3-11(4-2)10-7-5-6-8-12(10)9-13/h9-10H,3-8H2,1-2H3
InChIKeyFRHRCXIFKHQJNK-UHFFFAOYSA-N
XLogP2.10
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.35
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(dimethylamino)piperidine-1-carbothialdehyde
CID 54414561
N,N-diethyl-1-azabicyclo[2.2.2]octan-2-amine
CID 54348814
N,N-diethylcycloundecanamine
CID 163828609
N,N-diethyl-1-formylpiperidine-2-carboxamide
CID 87627372
N-cyclopropyl-N-ethylpyrrolidin-1-amine
CID 175188509
N,N-diethylformamide;ethane;methanamine;2-methylpiperidine-1-carbaldehyde
CID 145331952
N,N-diethylcyclobutanamine;ethane
CID 170746144
1-(2-aminoethyl)-N,N-diethylazepan-3-amine
CID 14210025
2-ethoxypiperidine-1-carbaldehyde
CID 87544079
1-cyclohexyl-2-[cyclopentyl(ethyl)amino]ethanone
CID 104750031
1-amino-3-[cyclopentyl(ethyl)amino]propan-2-ol
CID 43541005
trans-(1R,2R)-N,N-diethyl-2-methylcyclohexan-1-amine
CID 15852265

Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)piperidine-1-carbothialdehyde?
The IUPAC name of 2-(diethylamino)piperidine-1-carbothialdehyde (CID 54211378) is 2-(diethylamino)piperidine-1-carbothialdehyde.
What is the SMILES notation for 2-(diethylamino)piperidine-1-carbothialdehyde?
The canonical SMILES for 2-(diethylamino)piperidine-1-carbothialdehyde is CCN(CC)C1CCCCN1C=S.
What is the InChIKey of 2-(diethylamino)piperidine-1-carbothialdehyde?
The InChIKey is FRHRCXIFKHQJNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2S/c1-3-11(4-2)10-7-5-6-8-12(10)9-13/h9-10H,3-8H2,1-2H3.
What are the key properties of 2-(diethylamino)piperidine-1-carbothialdehyde?
2-(diethylamino)piperidine-1-carbothialdehyde has a molecular weight of 200.35 g/mol, XLogP of 2.10, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)piperidine-1-carbothialdehyde is sourced from PubChem (CID 54211378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).