N-[3-(4-hydroxypiperidin-1-yl)propyl]-3-methylsulfanylthiophene-2-carboxamide

C14H22N2O2S2 — CID 111429524

IUPACN-[3-(4-hydroxypiperidin-1-yl)propyl]-3-methylsulfanylthiophene-2-carboxamide
SMILESCSc1ccsc1C(=O)NCCCN1CCC(O)CC1
InChIInChI=1S/C14H22N2O2S2/c1-19-12-5-10-20-13(12)14(18)15-6-2-7-16-8-3-11(17)4-9-16/h5,10-11,17H,2-4,6-9H2,1H3,(H,15,18)
InChIKeyYLCJQQUXRGJOMT-UHFFFAOYSA-N
MW314.48 g/mol
LogP2.05
Rot. Bonds6

About N-[3-(4-hydroxypiperidin-1-yl)propyl]-3-methylsulfanylthiophene-2-carboxamide

N-[3-(4-hydroxypiperidin-1-yl)propyl]-3-methylsulfanylthiophene-2-carboxamide (PubChem CID 111429524) has the molecular formula C14H22N2O2S2 and a molecular weight of 314.48 g/mol. Its IUPAC name is N-[3-(4-hydroxypiperidin-1-yl)propyl]-3-methylsulfanylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[3-(4-hydroxypiperidin-1-yl)propyl]-3-methylsulfanylthiophene-2-carboxamide
PubChem CID111429524
Molecular FormulaC14H22N2O2S2
Molecular Weight314.48 g/mol
Exact Mass314.11
IUPAC NameN-[3-(4-hydroxypiperidin-1-yl)propyl]-3-methylsulfanylthiophene-2-carboxamide
SMILESCSc1ccsc1C(=O)NCCCN1CCC(O)CC1
InChIInChI=1S/C14H22N2O2S2/c1-19-12-5-10-20-13(12)14(18)15-6-2-7-16-8-3-11(17)4-9-16/h5,10-11,17H,2-4,6-9H2,1H3,(H,15,18)
InChIKeyYLCJQQUXRGJOMT-UHFFFAOYSA-N
XLogP2.05
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.48
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(methylamino)propyl]-3-methylsulfanylthiophene-2-carboxamide
CID 119429867
N-(3-aminopropyl)-3-methylsulfanylthiophene-2-carboxamide;hydrochloride
CID 119405175
N-[2-(cycloheptylamino)ethyl]-3-methylsulfanylthiophene-2-carboxamide;hydrochloride
CID 119619363
N-[3-(4-hydroxypiperidin-1-yl)propyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 111429721
2-fluoro-N-[3-(4-hydroxypiperidin-1-yl)propyl]-4-methoxybenzamide
CID 111429422
2-(2,5-dimethylphenyl)sulfanyl-N-[3-(4-hydroxypiperidin-1-yl)propyl]acetamide
CID 111429425
N-[3-(4-hydroxypiperidin-1-yl)propyl]-2-methylsulfanyl-6-oxo-1H-pyrimidine-5-carboxamide
CID 118778630
3-chloro-N-(3-piperazin-1-ylpropyl)thiophene-2-carboxamide
CID 80642347
2-chloro-N-[3-(4-hydroxypiperidin-1-yl)propyl]-4,5-dimethylbenzamide
CID 110027638
N-[3-(4-hydroxypiperidin-1-yl)propyl]-2-(4-methylphenyl)sulfanylacetamide
CID 111429498
3-(2-acetylthiophen-3-yl)-N-[3-[(3R)-3-hydroxypiperidin-1-yl]propyl]benzamide
CID 125444247
N-[3-(4-hydroxypiperidin-1-yl)propyl]-2-(propan-2-ylamino)pyridine-3-carboxamide
CID 111539069

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-hydroxypiperidin-1-yl)propyl]-3-methylsulfanylthiophene-2-carboxamide?
The IUPAC name of N-[3-(4-hydroxypiperidin-1-yl)propyl]-3-methylsulfanylthiophene-2-carboxamide (CID 111429524) is N-[3-(4-hydroxypiperidin-1-yl)propyl]-3-methylsulfanylthiophene-2-carboxamide.
What is the SMILES notation for N-[3-(4-hydroxypiperidin-1-yl)propyl]-3-methylsulfanylthiophene-2-carboxamide?
The canonical SMILES for N-[3-(4-hydroxypiperidin-1-yl)propyl]-3-methylsulfanylthiophene-2-carboxamide is CSc1ccsc1C(=O)NCCCN1CCC(O)CC1.
What is the InChIKey of N-[3-(4-hydroxypiperidin-1-yl)propyl]-3-methylsulfanylthiophene-2-carboxamide?
The InChIKey is YLCJQQUXRGJOMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S2/c1-19-12-5-10-20-13(12)14(18)15-6-2-7-16-8-3-11(17)4-9-16/h5,10-11,17H,2-4,6-9H2,1H3,(H,15,18).
What are the key properties of N-[3-(4-hydroxypiperidin-1-yl)propyl]-3-methylsulfanylthiophene-2-carboxamide?
N-[3-(4-hydroxypiperidin-1-yl)propyl]-3-methylsulfanylthiophene-2-carboxamide has a molecular weight of 314.48 g/mol, XLogP of 2.05, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-hydroxypiperidin-1-yl)propyl]-3-methylsulfanylthiophene-2-carboxamide is sourced from PubChem (CID 111429524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).