N-(4-hydroxy-2-methylpentyl)-3-methylsulfanylthiophene-2-carboxamide

C12H19NO2S2 — CID 111447422

IUPACN-(4-hydroxy-2-methylpentyl)-3-methylsulfanylthiophene-2-carboxamide
SMILESCSc1ccsc1C(=O)NCC(C)CC(C)O
InChIInChI=1S/C12H19NO2S2/c1-8(6-9(2)14)7-13-12(15)11-10(16-3)4-5-17-11/h4-5,8-9,14H,6-7H2,1-3H3,(H,13,15)
InChIKeyYFTKKAYEQQLFJM-UHFFFAOYSA-N
MW273.42 g/mol
LogP2.61
Rot. Bonds6

About N-(4-hydroxy-2-methylpentyl)-3-methylsulfanylthiophene-2-carboxamide

N-(4-hydroxy-2-methylpentyl)-3-methylsulfanylthiophene-2-carboxamide (PubChem CID 111447422) has the molecular formula C12H19NO2S2 and a molecular weight of 273.42 g/mol. Its IUPAC name is N-(4-hydroxy-2-methylpentyl)-3-methylsulfanylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(4-hydroxy-2-methylpentyl)-3-methylsulfanylthiophene-2-carboxamide
PubChem CID111447422
Molecular FormulaC12H19NO2S2
Molecular Weight273.42 g/mol
Exact Mass273.09
IUPAC NameN-(4-hydroxy-2-methylpentyl)-3-methylsulfanylthiophene-2-carboxamide
SMILESCSc1ccsc1C(=O)NCC(C)CC(C)O
InChIInChI=1S/C12H19NO2S2/c1-8(6-9(2)14)7-13-12(15)11-10(16-3)4-5-17-11/h4-5,8-9,14H,6-7H2,1-3H3,(H,13,15)
InChIKeyYFTKKAYEQQLFJM-UHFFFAOYSA-N
XLogP2.61
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-2-methylpentyl)-3-methylsulfanylthiophene-2-carboxamide?
The IUPAC name of N-(4-hydroxy-2-methylpentyl)-3-methylsulfanylthiophene-2-carboxamide (CID 111447422) is N-(4-hydroxy-2-methylpentyl)-3-methylsulfanylthiophene-2-carboxamide.
What is the SMILES notation for N-(4-hydroxy-2-methylpentyl)-3-methylsulfanylthiophene-2-carboxamide?
The canonical SMILES for N-(4-hydroxy-2-methylpentyl)-3-methylsulfanylthiophene-2-carboxamide is CSc1ccsc1C(=O)NCC(C)CC(C)O.
What is the InChIKey of N-(4-hydroxy-2-methylpentyl)-3-methylsulfanylthiophene-2-carboxamide?
The InChIKey is YFTKKAYEQQLFJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2S2/c1-8(6-9(2)14)7-13-12(15)11-10(16-3)4-5-17-11/h4-5,8-9,14H,6-7H2,1-3H3,(H,13,15).
What are the key properties of N-(4-hydroxy-2-methylpentyl)-3-methylsulfanylthiophene-2-carboxamide?
N-(4-hydroxy-2-methylpentyl)-3-methylsulfanylthiophene-2-carboxamide has a molecular weight of 273.42 g/mol, XLogP of 2.61, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxy-2-methylpentyl)-3-methylsulfanylthiophene-2-carboxamide is sourced from PubChem (CID 111447422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).