6-[4-[(dimethylamino)methyl]piperidin-1-yl]pyridine-3-carbothioamide

C14H22N4S — CID 54985856

IUPAC6-[4-[(dimethylamino)methyl]piperidin-1-yl]pyridine-3-carbothioamide
SMILESCN(C)CC1CCN(c2ccc(C(N)=S)cn2)CC1
InChIInChI=1S/C14H22N4S/c1-17(2)10-11-5-7-18(8-6-11)13-4-3-12(9-16-13)14(15)19/h3-4,9,11H,5-8,10H2,1-2H3,(H2,15,19)
InChIKeyIRHQBOZOSLLMRT-UHFFFAOYSA-N
MW278.43 g/mol
LogP1.49
Rot. Bonds4

About 6-[4-[(dimethylamino)methyl]piperidin-1-yl]pyridine-3-carbothioamide

6-[4-[(dimethylamino)methyl]piperidin-1-yl]pyridine-3-carbothioamide (PubChem CID 54985856) has the molecular formula C14H22N4S and a molecular weight of 278.43 g/mol. Its IUPAC name is 6-[4-[(dimethylamino)methyl]piperidin-1-yl]pyridine-3-carbothioamide.

Molecular Properties

Compound Name6-[4-[(dimethylamino)methyl]piperidin-1-yl]pyridine-3-carbothioamide
PubChem CID54985856
Molecular FormulaC14H22N4S
Molecular Weight278.43 g/mol
Exact Mass278.16
IUPAC Name6-[4-[(dimethylamino)methyl]piperidin-1-yl]pyridine-3-carbothioamide
SMILESCN(C)CC1CCN(c2ccc(C(N)=S)cn2)CC1
InChIInChI=1S/C14H22N4S/c1-17(2)10-11-5-7-18(8-6-11)13-4-3-12(9-16-13)14(15)19/h3-4,9,11H,5-8,10H2,1-2H3,(H2,15,19)
InChIKeyIRHQBOZOSLLMRT-UHFFFAOYSA-N
XLogP1.49
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.43
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-[4-(cyclopropylmethyl)piperazin-1-yl]pyridine-3-carbothioamide
CID 61443099
6-(4-methyl-1,4-diazepan-1-yl)pyridine-3-carbothioamide
CID 28775051
6-(4-propylpiperazin-1-yl)pyridine-3-carbothioamide
CID 24709307
4-[4-[(dimethylamino)methyl]piperidin-1-yl]pyridine-2-carbothioamide
CID 55154937
6-(3,4-dihydroxypyrrolidin-1-yl)pyridine-3-carbothioamide
CID 106669549
2-[4-[(dimethylamino)methyl]piperidin-1-yl]benzenecarbothioamide
CID 54985905
2-[1-(5-carbamoyl-2-pyridinyl)piperidin-4-yl]acetic acid
CID 79608982
6-(2-ethylmorpholin-4-yl)pyridine-3-carbothioamide
CID 43562927
6-[4-(dimethylamino)piperidin-1-yl]pyridine-3-carboxylic acid
CID 43586285
6-[2-[(dimethylamino)methyl]pyrrolidine-1-carbonyl]pyridine-3-carbothioamide
CID 63747788
6-(4-methylpiperidin-1-yl)pyridine-3-carboximidamide
CID 24689535
2-[1-(5-ethoxycarbonyl-2-pyridinyl)piperidin-4-yl]acetic acid
CID 79610114

Frequently Asked Questions

What is the IUPAC name of 6-[4-[(dimethylamino)methyl]piperidin-1-yl]pyridine-3-carbothioamide?
The IUPAC name of 6-[4-[(dimethylamino)methyl]piperidin-1-yl]pyridine-3-carbothioamide (CID 54985856) is 6-[4-[(dimethylamino)methyl]piperidin-1-yl]pyridine-3-carbothioamide.
What is the SMILES notation for 6-[4-[(dimethylamino)methyl]piperidin-1-yl]pyridine-3-carbothioamide?
The canonical SMILES for 6-[4-[(dimethylamino)methyl]piperidin-1-yl]pyridine-3-carbothioamide is CN(C)CC1CCN(c2ccc(C(N)=S)cn2)CC1.
What is the InChIKey of 6-[4-[(dimethylamino)methyl]piperidin-1-yl]pyridine-3-carbothioamide?
The InChIKey is IRHQBOZOSLLMRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4S/c1-17(2)10-11-5-7-18(8-6-11)13-4-3-12(9-16-13)14(15)19/h3-4,9,11H,5-8,10H2,1-2H3,(H2,15,19).
What are the key properties of 6-[4-[(dimethylamino)methyl]piperidin-1-yl]pyridine-3-carbothioamide?
6-[4-[(dimethylamino)methyl]piperidin-1-yl]pyridine-3-carbothioamide has a molecular weight of 278.43 g/mol, XLogP of 1.49, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[(dimethylamino)methyl]piperidin-1-yl]pyridine-3-carbothioamide is sourced from PubChem (CID 54985856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).