3-amino-5-(4-tert-butylpiperidin-1-yl)-4-methylsulfanylthiophene-2-carboxamide

C15H25N3OS2 — CID 103509494

IUPAC3-amino-5-(4-tert-butylpiperidin-1-yl)-4-methylsulfanylthiophene-2-carboxamide
SMILESCSc1c(N2CCC(C(C)(C)C)CC2)sc(C(N)=O)c1N
InChIInChI=1S/C15H25N3OS2/c1-15(2,3)9-5-7-18(8-6-9)14-12(20-4)10(16)11(21-14)13(17)19/h9H,5-8,16H2,1-4H3,(H2,17,19)
InChIKeyOFNWYOBBJAECBP-UHFFFAOYSA-N
MW327.52 g/mol
LogP3.41
Rot. Bonds3

About 3-amino-5-(4-tert-butylpiperidin-1-yl)-4-methylsulfanylthiophene-2-carboxamide

3-amino-5-(4-tert-butylpiperidin-1-yl)-4-methylsulfanylthiophene-2-carboxamide (PubChem CID 103509494) has the molecular formula C15H25N3OS2 and a molecular weight of 327.52 g/mol. Its IUPAC name is 3-amino-5-(4-tert-butylpiperidin-1-yl)-4-methylsulfanylthiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-5-(4-tert-butylpiperidin-1-yl)-4-methylsulfanylthiophene-2-carboxamide
PubChem CID103509494
Molecular FormulaC15H25N3OS2
Molecular Weight327.52 g/mol
Exact Mass327.14
IUPAC Name3-amino-5-(4-tert-butylpiperidin-1-yl)-4-methylsulfanylthiophene-2-carboxamide
SMILESCSc1c(N2CCC(C(C)(C)C)CC2)sc(C(N)=O)c1N
InChIInChI=1S/C15H25N3OS2/c1-15(2,3)9-5-7-18(8-6-9)14-12(20-4)10(16)11(21-14)13(17)19/h9H,5-8,16H2,1-4H3,(H2,17,19)
InChIKeyOFNWYOBBJAECBP-UHFFFAOYSA-N
XLogP3.41
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.52
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-5-(4-tert-butylpiperidin-1-yl)-4-methylsulfanylthiophene-2-carboxamide?
The IUPAC name of 3-amino-5-(4-tert-butylpiperidin-1-yl)-4-methylsulfanylthiophene-2-carboxamide (CID 103509494) is 3-amino-5-(4-tert-butylpiperidin-1-yl)-4-methylsulfanylthiophene-2-carboxamide.
What is the SMILES notation for 3-amino-5-(4-tert-butylpiperidin-1-yl)-4-methylsulfanylthiophene-2-carboxamide?
The canonical SMILES for 3-amino-5-(4-tert-butylpiperidin-1-yl)-4-methylsulfanylthiophene-2-carboxamide is CSc1c(N2CCC(C(C)(C)C)CC2)sc(C(N)=O)c1N.
What is the InChIKey of 3-amino-5-(4-tert-butylpiperidin-1-yl)-4-methylsulfanylthiophene-2-carboxamide?
The InChIKey is OFNWYOBBJAECBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3OS2/c1-15(2,3)9-5-7-18(8-6-9)14-12(20-4)10(16)11(21-14)13(17)19/h9H,5-8,16H2,1-4H3,(H2,17,19).
What are the key properties of 3-amino-5-(4-tert-butylpiperidin-1-yl)-4-methylsulfanylthiophene-2-carboxamide?
3-amino-5-(4-tert-butylpiperidin-1-yl)-4-methylsulfanylthiophene-2-carboxamide has a molecular weight of 327.52 g/mol, XLogP of 3.41, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-(4-tert-butylpiperidin-1-yl)-4-methylsulfanylthiophene-2-carboxamide is sourced from PubChem (CID 103509494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).