N-(1-ethylpiperidin-4-yl)-N-methyl-4-sulfanylthiophene-2-carboxamide

C13H20N2OS2 — CID 107026594

IUPACN-(1-ethylpiperidin-4-yl)-N-methyl-4-sulfanylthiophene-2-carboxamide
SMILESCCN1CCC(N(C)C(=O)c2cc(S)cs2)CC1
InChIInChI=1S/C13H20N2OS2/c1-3-15-6-4-10(5-7-15)14(2)13(16)12-8-11(17)9-18-12/h8-10,17H,3-7H2,1-2H3
InChIKeyBWYUMDJVBVTJQK-UHFFFAOYSA-N
MW284.45 g/mol
LogP2.59
Rot. Bonds3

About N-(1-ethylpiperidin-4-yl)-N-methyl-4-sulfanylthiophene-2-carboxamide

N-(1-ethylpiperidin-4-yl)-N-methyl-4-sulfanylthiophene-2-carboxamide (PubChem CID 107026594) has the molecular formula C13H20N2OS2 and a molecular weight of 284.45 g/mol. Its IUPAC name is N-(1-ethylpiperidin-4-yl)-N-methyl-4-sulfanylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(1-ethylpiperidin-4-yl)-N-methyl-4-sulfanylthiophene-2-carboxamide
PubChem CID107026594
Molecular FormulaC13H20N2OS2
Molecular Weight284.45 g/mol
Exact Mass284.10
IUPAC NameN-(1-ethylpiperidin-4-yl)-N-methyl-4-sulfanylthiophene-2-carboxamide
SMILESCCN1CCC(N(C)C(=O)c2cc(S)cs2)CC1
InChIInChI=1S/C13H20N2OS2/c1-3-15-6-4-10(5-7-15)14(2)13(16)12-8-11(17)9-18-12/h8-10,17H,3-7H2,1-2H3
InChIKeyBWYUMDJVBVTJQK-UHFFFAOYSA-N
XLogP2.59
TPSA23.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.45
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

N-(1,1-dioxothiolan-3-yl)-N-methyl-4-sulfanylthiophene-2-carboxamide
CID 107023421
4-amino-N-(1-ethylpiperidin-4-yl)-N,5-dimethylthiophene-2-carboxamide
CID 61092921
N-(1-ethylpiperidin-4-yl)-2-fluoro-N-methyl-5-sulfanylbenzamide
CID 107026589
N-(cyclopropylmethyl)-N-methyl-4-sulfanylthiophene-2-carboxamide
CID 107023704
N-(1-ethylpiperidin-4-yl)-N-methylthiophene-3-carboxamide
CID 60559786
N-methyl-N-propyl-4-sulfanylthiophene-2-carboxamide
CID 107022451
N-(1-ethylpiperidin-4-yl)-N-methyl-2-(4-sulfanylphenyl)acetamide
CID 107026586
N-(1-ethylpiperidin-4-yl)-2-hydroxy-N-methylbenzamide
CID 55002980
N-(1-ethylpiperidin-4-yl)-3-hydroxy-N-methylpyridine-2-carboxamide
CID 55002979
N-(1-ethylpiperidin-4-yl)-N-methylpropanamide
CID 60724468
N-[(1-ethylpyrrolidin-2-yl)methyl]-4-sulfanylthiophene-2-carboxamide
CID 107021324
5-(ethylamino)-N-(1-ethylpiperidin-4-yl)-N-methyl-1,3,4-thiadiazole-2-carboxamide
CID 80616290

Frequently Asked Questions

What is the IUPAC name of N-(1-ethylpiperidin-4-yl)-N-methyl-4-sulfanylthiophene-2-carboxamide?
The IUPAC name of N-(1-ethylpiperidin-4-yl)-N-methyl-4-sulfanylthiophene-2-carboxamide (CID 107026594) is N-(1-ethylpiperidin-4-yl)-N-methyl-4-sulfanylthiophene-2-carboxamide.
What is the SMILES notation for N-(1-ethylpiperidin-4-yl)-N-methyl-4-sulfanylthiophene-2-carboxamide?
The canonical SMILES for N-(1-ethylpiperidin-4-yl)-N-methyl-4-sulfanylthiophene-2-carboxamide is CCN1CCC(N(C)C(=O)c2cc(S)cs2)CC1.
What is the InChIKey of N-(1-ethylpiperidin-4-yl)-N-methyl-4-sulfanylthiophene-2-carboxamide?
The InChIKey is BWYUMDJVBVTJQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2OS2/c1-3-15-6-4-10(5-7-15)14(2)13(16)12-8-11(17)9-18-12/h8-10,17H,3-7H2,1-2H3.
What are the key properties of N-(1-ethylpiperidin-4-yl)-N-methyl-4-sulfanylthiophene-2-carboxamide?
N-(1-ethylpiperidin-4-yl)-N-methyl-4-sulfanylthiophene-2-carboxamide has a molecular weight of 284.45 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethylpiperidin-4-yl)-N-methyl-4-sulfanylthiophene-2-carboxamide is sourced from PubChem (CID 107026594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).