3-methylsulfanyl-N-(2-piperidin-3-ylethyl)thiophene-2-carboxamide

C13H20N2OS2 — CID 119555349

IUPAC3-methylsulfanyl-N-(2-piperidin-3-ylethyl)thiophene-2-carboxamide
SMILESCSc1ccsc1C(=O)NCCC1CCCNC1
InChIInChI=1S/C13H20N2OS2/c1-17-11-5-8-18-12(11)13(16)15-7-4-10-3-2-6-14-9-10/h5,8,10,14H,2-4,6-7,9H2,1H3,(H,15,16)
InChIKeyRUPCTALPZLUBGE-UHFFFAOYSA-N
MW284.45 g/mol
LogP2.59
Rot. Bonds5

About 3-methylsulfanyl-N-(2-piperidin-3-ylethyl)thiophene-2-carboxamide

3-methylsulfanyl-N-(2-piperidin-3-ylethyl)thiophene-2-carboxamide (PubChem CID 119555349) has the molecular formula C13H20N2OS2 and a molecular weight of 284.45 g/mol. Its IUPAC name is 3-methylsulfanyl-N-(2-piperidin-3-ylethyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name3-methylsulfanyl-N-(2-piperidin-3-ylethyl)thiophene-2-carboxamide
PubChem CID119555349
Molecular FormulaC13H20N2OS2
Molecular Weight284.45 g/mol
Exact Mass284.10
IUPAC Name3-methylsulfanyl-N-(2-piperidin-3-ylethyl)thiophene-2-carboxamide
SMILESCSc1ccsc1C(=O)NCCC1CCCNC1
InChIInChI=1S/C13H20N2OS2/c1-17-11-5-8-18-12(11)13(16)15-7-4-10-3-2-6-14-9-10/h5,8,10,14H,2-4,6-7,9H2,1H3,(H,15,16)
InChIKeyRUPCTALPZLUBGE-UHFFFAOYSA-N
XLogP2.59
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.45
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-N-(2-piperidin-3-ylethyl)thiophene-2-carboxamide
CID 80641488
3-bromo-N-(2-piperidin-3-ylethyl)thiophene-2-carboxamide;hydrochloride
CID 86777491
4-methyl-N-(2-piperidin-3-ylethyl)-1,3-thiazole-5-carboxamide;dihydrochloride
CID 119555064
5-methylsulfanyl-N-(2-piperidin-3-ylethyl)furan-2-carboxamide;hydrochloride
CID 119556582
3-(dimethylsulfamoyl)-N-(2-pyrrolidin-3-ylethyl)thiophene-2-carboxamide
CID 119535146
2,6-difluoro-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119554934
4-methoxy-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119556793
5-fluoro-2-methyl-N-(2-piperidin-3-ylethyl)benzamide
CID 55144401
2-(4-fluorophenyl)-N-(2-piperidin-3-ylethyl)acetamide
CID 60894094
4-iodo-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119554925
2,3,4-trifluoro-N-(2-piperidin-3-ylethyl)benzamide
CID 79749359
3-fluoro-4-methyl-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119556963

Frequently Asked Questions

What is the IUPAC name of 3-methylsulfanyl-N-(2-piperidin-3-ylethyl)thiophene-2-carboxamide?
The IUPAC name of 3-methylsulfanyl-N-(2-piperidin-3-ylethyl)thiophene-2-carboxamide (CID 119555349) is 3-methylsulfanyl-N-(2-piperidin-3-ylethyl)thiophene-2-carboxamide.
What is the SMILES notation for 3-methylsulfanyl-N-(2-piperidin-3-ylethyl)thiophene-2-carboxamide?
The canonical SMILES for 3-methylsulfanyl-N-(2-piperidin-3-ylethyl)thiophene-2-carboxamide is CSc1ccsc1C(=O)NCCC1CCCNC1.
What is the InChIKey of 3-methylsulfanyl-N-(2-piperidin-3-ylethyl)thiophene-2-carboxamide?
The InChIKey is RUPCTALPZLUBGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2OS2/c1-17-11-5-8-18-12(11)13(16)15-7-4-10-3-2-6-14-9-10/h5,8,10,14H,2-4,6-7,9H2,1H3,(H,15,16).
What are the key properties of 3-methylsulfanyl-N-(2-piperidin-3-ylethyl)thiophene-2-carboxamide?
3-methylsulfanyl-N-(2-piperidin-3-ylethyl)thiophene-2-carboxamide has a molecular weight of 284.45 g/mol, XLogP of 2.59, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylsulfanyl-N-(2-piperidin-3-ylethyl)thiophene-2-carboxamide is sourced from PubChem (CID 119555349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).