N-(3-methylpiperidin-4-yl)-5-methylsulfanylfuran-2-carboxamide

C12H18N2O2S — CID 120557562

IUPACN-(3-methylpiperidin-4-yl)-5-methylsulfanylfuran-2-carboxamide
SMILESCSc1ccc(C(=O)NC2CCNCC2C)o1
InChIInChI=1S/C12H18N2O2S/c1-8-7-13-6-5-9(8)14-12(15)10-3-4-11(16-10)17-2/h3-4,8-9,13H,5-7H2,1-2H3,(H,14,15)
InChIKeyJEXNGCRVYISWQD-UHFFFAOYSA-N
MW254.35 g/mol
LogP1.73
Rot. Bonds3

About N-(3-methylpiperidin-4-yl)-5-methylsulfanylfuran-2-carboxamide

N-(3-methylpiperidin-4-yl)-5-methylsulfanylfuran-2-carboxamide (PubChem CID 120557562) has the molecular formula C12H18N2O2S and a molecular weight of 254.35 g/mol. Its IUPAC name is N-(3-methylpiperidin-4-yl)-5-methylsulfanylfuran-2-carboxamide.

Molecular Properties

Compound NameN-(3-methylpiperidin-4-yl)-5-methylsulfanylfuran-2-carboxamide
PubChem CID120557562
Molecular FormulaC12H18N2O2S
Molecular Weight254.35 g/mol
Exact Mass254.11
IUPAC NameN-(3-methylpiperidin-4-yl)-5-methylsulfanylfuran-2-carboxamide
SMILESCSc1ccc(C(=O)NC2CCNCC2C)o1
InChIInChI=1S/C12H18N2O2S/c1-8-7-13-6-5-9(8)14-12(15)10-3-4-11(16-10)17-2/h3-4,8-9,13H,5-7H2,1-2H3,(H,14,15)
InChIKeyJEXNGCRVYISWQD-UHFFFAOYSA-N
XLogP1.73
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.35
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-ethylphenyl)-N-(3-methylpiperidin-4-yl)furan-2-carboxamide
CID 120553771
5-[(4-bromophenoxy)methyl]-N-(3-methylpiperidin-4-yl)furan-2-carboxamide;hydrochloride
CID 120557308
4-iodo-N-(3-methylpiperidin-4-yl)benzamide;hydrochloride
CID 120557720
2,3,4-trifluoro-N-(3-methylpiperidin-4-yl)benzamide
CID 79886711
2,4,6-trifluoro-N-[(3S,4R)-3-methylpiperidin-4-yl]benzamide
CID 124516935
2-methyl-N-[(3R,4R)-3-methylpiperidin-4-yl]benzamide
CID 124516930
2,3,4-trifluoro-N-(3-methylpiperidin-4-yl)benzamide;hydrochloride
CID 120556103
2,5-difluoro-N-[(3S,4R)-3-methylpiperidin-4-yl]benzamide
CID 124516939
2-fluoro-3-methyl-N-(3-methylpiperidin-4-yl)benzamide
CID 81480777
3-(4-fluorophenyl)-N-(3-methylpiperidin-4-yl)propanamide
CID 120553300
5-chloro-2-fluoro-N-(3-methylpiperidin-4-yl)benzamide
CID 120557983
2,4-difluoro-N-(3-methylpiperidin-4-yl)benzamide
CID 79887319

Frequently Asked Questions

What is the IUPAC name of N-(3-methylpiperidin-4-yl)-5-methylsulfanylfuran-2-carboxamide?
The IUPAC name of N-(3-methylpiperidin-4-yl)-5-methylsulfanylfuran-2-carboxamide (CID 120557562) is N-(3-methylpiperidin-4-yl)-5-methylsulfanylfuran-2-carboxamide.
What is the SMILES notation for N-(3-methylpiperidin-4-yl)-5-methylsulfanylfuran-2-carboxamide?
The canonical SMILES for N-(3-methylpiperidin-4-yl)-5-methylsulfanylfuran-2-carboxamide is CSc1ccc(C(=O)NC2CCNCC2C)o1.
What is the InChIKey of N-(3-methylpiperidin-4-yl)-5-methylsulfanylfuran-2-carboxamide?
The InChIKey is JEXNGCRVYISWQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2S/c1-8-7-13-6-5-9(8)14-12(15)10-3-4-11(16-10)17-2/h3-4,8-9,13H,5-7H2,1-2H3,(H,14,15).
What are the key properties of N-(3-methylpiperidin-4-yl)-5-methylsulfanylfuran-2-carboxamide?
N-(3-methylpiperidin-4-yl)-5-methylsulfanylfuran-2-carboxamide has a molecular weight of 254.35 g/mol, XLogP of 1.73, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylpiperidin-4-yl)-5-methylsulfanylfuran-2-carboxamide is sourced from PubChem (CID 120557562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).