2-(dimethylamino)piperidine-1-carbothialdehyde

C8H16N2S — CID 54414561

IUPAC2-(dimethylamino)piperidine-1-carbothialdehyde
SMILESCN(C)C1CCCCN1C=S
InChIInChI=1S/C8H16N2S/c1-9(2)8-5-3-4-6-10(8)7-11/h7-8H,3-6H2,1-2H3
InChIKeyJNQQAOJXXLXZFZ-UHFFFAOYSA-N
MW172.30 g/mol
LogP1.32
Rot. Bonds2

About 2-(dimethylamino)piperidine-1-carbothialdehyde

2-(dimethylamino)piperidine-1-carbothialdehyde (PubChem CID 54414561) has the molecular formula C8H16N2S and a molecular weight of 172.30 g/mol. Its IUPAC name is 2-(dimethylamino)piperidine-1-carbothialdehyde.

Molecular Properties

Compound Name2-(dimethylamino)piperidine-1-carbothialdehyde
PubChem CID54414561
Molecular FormulaC8H16N2S
Molecular Weight172.30 g/mol
Exact Mass172.10
IUPAC Name2-(dimethylamino)piperidine-1-carbothialdehyde
SMILESCN(C)C1CCCCN1C=S
InChIInChI=1S/C8H16N2S/c1-9(2)8-5-3-4-6-10(8)7-11/h7-8H,3-6H2,1-2H3
InChIKeyJNQQAOJXXLXZFZ-UHFFFAOYSA-N
XLogP1.32
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.30
LogP ≤ 51.32
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-(diethylamino)piperidine-1-carbothialdehyde
CID 54211378
1-[2-(dimethylamino)piperidin-1-yl]ethanone
CID 90836740
3-[2-(dimethylamino)piperidin-1-yl]hexanal
CID 173299916
N,N-dimethyl-1-pyrrolidin-1-ylpyrrolidin-3-amine
CID 57226950
(3R)-N,N-dimethyl-1-methylsulfanylpyrrolidin-3-amine
CID 129226195
2-(dimethylamino)pyrrolidine-1-carboxamide
CID 90427643
N,N-dimethyl-2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepin-6-amine
CID 150582155
2-[[cyclohexyl(methyl)amino]methyl]piperidine-1-carbaldehyde
CID 87628416
N-methyl-N-piperidin-1-ylmethanethioamide
CID 88613393
N,N-dimethyl-1-(1-methylazepan-3-yl)methanamine
CID 121402940
1-chloro-2-methylsulfanylpiperidine
CID 174662650
N,N-dimethyl-2-phenylpiperidin-1-amine
CID 150714431

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)piperidine-1-carbothialdehyde?
The IUPAC name of 2-(dimethylamino)piperidine-1-carbothialdehyde (CID 54414561) is 2-(dimethylamino)piperidine-1-carbothialdehyde.
What is the SMILES notation for 2-(dimethylamino)piperidine-1-carbothialdehyde?
The canonical SMILES for 2-(dimethylamino)piperidine-1-carbothialdehyde is CN(C)C1CCCCN1C=S.
What is the InChIKey of 2-(dimethylamino)piperidine-1-carbothialdehyde?
The InChIKey is JNQQAOJXXLXZFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2S/c1-9(2)8-5-3-4-6-10(8)7-11/h7-8H,3-6H2,1-2H3.
What are the key properties of 2-(dimethylamino)piperidine-1-carbothialdehyde?
2-(dimethylamino)piperidine-1-carbothialdehyde has a molecular weight of 172.30 g/mol, XLogP of 1.32, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)piperidine-1-carbothialdehyde is sourced from PubChem (CID 54414561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).