4-[4-[(dimethylamino)methyl]piperidin-1-yl]pyridine-2-carbothioamide

C14H22N4S — CID 55154937

IUPAC4-[4-[(dimethylamino)methyl]piperidin-1-yl]pyridine-2-carbothioamide
SMILESCN(C)CC1CCN(c2ccnc(C(N)=S)c2)CC1
InChIInChI=1S/C14H22N4S/c1-17(2)10-11-4-7-18(8-5-11)12-3-6-16-13(9-12)14(15)19/h3,6,9,11H,4-5,7-8,10H2,1-2H3,(H2,15,19)
InChIKeyAGJWBPNJFLYEAT-UHFFFAOYSA-N
MW278.42 g/mol
LogP1.49
Rot. Bonds4

About 4-[4-[(dimethylamino)methyl]piperidin-1-yl]pyridine-2-carbothioamide

4-[4-[(dimethylamino)methyl]piperidin-1-yl]pyridine-2-carbothioamide (PubChem CID 55154937) has the molecular formula C14H22N4S and a molecular weight of 278.42 g/mol. Its IUPAC name is 4-[4-[(dimethylamino)methyl]piperidin-1-yl]pyridine-2-carbothioamide.

Molecular Properties

Compound Name4-[4-[(dimethylamino)methyl]piperidin-1-yl]pyridine-2-carbothioamide
PubChem CID55154937
Molecular FormulaC14H22N4S
Molecular Weight278.42 g/mol
Exact Mass278.16
IUPAC Name4-[4-[(dimethylamino)methyl]piperidin-1-yl]pyridine-2-carbothioamide
SMILESCN(C)CC1CCN(c2ccnc(C(N)=S)c2)CC1
InChIInChI=1S/C14H22N4S/c1-17(2)10-11-4-7-18(8-5-11)12-3-6-16-13(9-12)14(15)19/h3,6,9,11H,4-5,7-8,10H2,1-2H3,(H2,15,19)
InChIKeyAGJWBPNJFLYEAT-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 ≤ 500278.42
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

4-[4-[(dimethylamino)methyl]piperidin-1-yl]pyridine-2-carboximidamide
CID 62924758
1-[1-[2-(chloromethyl)-4-pyridinyl]piperidin-4-yl]-N,N-dimethylmethanamine
CID 54986029
4-piperidin-1-ylpyridine-2-carbothioamide
CID 3002239
6-[4-[(dimethylamino)methyl]piperidin-1-yl]pyridine-3-carbothioamide
CID 54985856
4-(4-acetylpiperazin-1-yl)pyridine-2-carbothioamide
CID 55154931
4-[3-(aminomethyl)pyrrolidin-1-yl]-N,N-dimethylpyridine-2-carboxamide
CID 62063610
2-[4-[(dimethylamino)methyl]piperidin-1-yl]benzenecarbothioamide
CID 54985905
2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]pyrimidine-4-carbothioamide
CID 107547438
1-[1-[3-(aminomethyl)pyrazin-2-yl]piperidin-4-yl]-N,N-dimethylmethanamine
CID 62672885
4-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]pyridine-2-carbothioamide
CID 79313788
4-[(dimethylamino)methyl]pyridine-2-carbothioamide
CID 63882857
1-(2-carbamoyl-4-pyridinyl)piperidine-4-carboxylic acid
CID 43517519

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(dimethylamino)methyl]piperidin-1-yl]pyridine-2-carbothioamide?
The IUPAC name of 4-[4-[(dimethylamino)methyl]piperidin-1-yl]pyridine-2-carbothioamide (CID 55154937) is 4-[4-[(dimethylamino)methyl]piperidin-1-yl]pyridine-2-carbothioamide.
What is the SMILES notation for 4-[4-[(dimethylamino)methyl]piperidin-1-yl]pyridine-2-carbothioamide?
The canonical SMILES for 4-[4-[(dimethylamino)methyl]piperidin-1-yl]pyridine-2-carbothioamide is CN(C)CC1CCN(c2ccnc(C(N)=S)c2)CC1.
What is the InChIKey of 4-[4-[(dimethylamino)methyl]piperidin-1-yl]pyridine-2-carbothioamide?
The InChIKey is AGJWBPNJFLYEAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4S/c1-17(2)10-11-4-7-18(8-5-11)12-3-6-16-13(9-12)14(15)19/h3,6,9,11H,4-5,7-8,10H2,1-2H3,(H2,15,19).
What are the key properties of 4-[4-[(dimethylamino)methyl]piperidin-1-yl]pyridine-2-carbothioamide?
4-[4-[(dimethylamino)methyl]piperidin-1-yl]pyridine-2-carbothioamide has a molecular weight of 278.42 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 4-[4-[(dimethylamino)methyl]piperidin-1-yl]pyridine-2-carbothioamide is sourced from PubChem (CID 55154937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).