5-[4-[(dimethylamino)methyl]piperidin-1-yl]pentanethioamide

C13H27N3S — CID 54985924

IUPAC5-[4-[(dimethylamino)methyl]piperidin-1-yl]pentanethioamide
SMILESCN(C)CC1CCN(CCCCC(N)=S)CC1
InChIInChI=1S/C13H27N3S/c1-15(2)11-12-6-9-16(10-7-12)8-4-3-5-13(14)17/h12H,3-11H2,1-2H3,(H2,14,17)
InChIKeyMYHVNUSLEJVUTN-UHFFFAOYSA-N
MW257.45 g/mol
LogP1.72
Rot. Bonds7

About 5-[4-[(dimethylamino)methyl]piperidin-1-yl]pentanethioamide

5-[4-[(dimethylamino)methyl]piperidin-1-yl]pentanethioamide (PubChem CID 54985924) has the molecular formula C13H27N3S and a molecular weight of 257.45 g/mol. Its IUPAC name is 5-[4-[(dimethylamino)methyl]piperidin-1-yl]pentanethioamide.

Molecular Properties

Compound Name5-[4-[(dimethylamino)methyl]piperidin-1-yl]pentanethioamide
PubChem CID54985924
Molecular FormulaC13H27N3S
Molecular Weight257.45 g/mol
Exact Mass257.19
IUPAC Name5-[4-[(dimethylamino)methyl]piperidin-1-yl]pentanethioamide
SMILESCN(C)CC1CCN(CCCCC(N)=S)CC1
InChIInChI=1S/C13H27N3S/c1-15(2)11-12-6-9-16(10-7-12)8-4-3-5-13(14)17/h12H,3-11H2,1-2H3,(H2,14,17)
InChIKeyMYHVNUSLEJVUTN-UHFFFAOYSA-N
XLogP1.72
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.45
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[2-[4-[(dimethylamino)methyl]piperidin-1-yl]ethyl]piperidin-4-amine
CID 79328289
1-(5-amino-5-sulfanylidenepentyl)-N-methylpiperidine-4-carboxamide
CID 54967141
4-[4-(cyclopropylmethyl)piperazin-1-yl]butanethioamide
CID 61441588
5-[4-[(dimethylamino)methyl]piperidin-1-yl]-N-propylpentan-1-amine
CID 55073746
5-[(1-ethylpiperidin-4-yl)-methylamino]pentanethioamide
CID 55004464
4-pyrrolidin-1-ylbutanethioamide
CID 18941013
1-[3-(dimethylamino)propyl]piperidine-4-carbothioamide
CID 114525377
6-[4-[(dimethylamino)methyl]piperidin-1-yl]-2-(ethylamino)-2-methylhexan-1-ol
CID 64825533
4-(4-acetylpiperazin-1-yl)butanethioamide
CID 24700662
2-[[1-[3-(dimethylamino)propyl]piperidin-4-yl]methyl-(2-hydroxyethyl)amino]ethanol
CID 54060629
6-[4-[(dimethylamino)methyl]piperidin-1-yl]-N-ethylhexan-3-amine
CID 106799572
N,N-dimethyl-1-[1-(3-methylbut-2-enyl)piperidin-4-yl]methanamine
CID 56824391

Frequently Asked Questions

What is the IUPAC name of 5-[4-[(dimethylamino)methyl]piperidin-1-yl]pentanethioamide?
The IUPAC name of 5-[4-[(dimethylamino)methyl]piperidin-1-yl]pentanethioamide (CID 54985924) is 5-[4-[(dimethylamino)methyl]piperidin-1-yl]pentanethioamide.
What is the SMILES notation for 5-[4-[(dimethylamino)methyl]piperidin-1-yl]pentanethioamide?
The canonical SMILES for 5-[4-[(dimethylamino)methyl]piperidin-1-yl]pentanethioamide is CN(C)CC1CCN(CCCCC(N)=S)CC1.
What is the InChIKey of 5-[4-[(dimethylamino)methyl]piperidin-1-yl]pentanethioamide?
The InChIKey is MYHVNUSLEJVUTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3S/c1-15(2)11-12-6-9-16(10-7-12)8-4-3-5-13(14)17/h12H,3-11H2,1-2H3,(H2,14,17).
What are the key properties of 5-[4-[(dimethylamino)methyl]piperidin-1-yl]pentanethioamide?
5-[4-[(dimethylamino)methyl]piperidin-1-yl]pentanethioamide has a molecular weight of 257.45 g/mol, XLogP of 1.72, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[(dimethylamino)methyl]piperidin-1-yl]pentanethioamide is sourced from PubChem (CID 54985924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).