N-(1-hydroxypentan-3-yl)-4-methylthiophene-3-carboxamide

C11H17NO2S — CID 75389858

IUPACN-(1-hydroxypentan-3-yl)-4-methylthiophene-3-carboxamide
SMILESCCC(CCO)NC(=O)c1cscc1C
InChIInChI=1S/C11H17NO2S/c1-3-9(4-5-13)12-11(14)10-7-15-6-8(10)2/h6-7,9,13H,3-5H2,1-2H3,(H,12,14)
InChIKeyLBXAOGPVAHTIGL-UHFFFAOYSA-N
MW227.33 g/mol
LogP1.95
Rot. Bonds5

About N-(1-hydroxypentan-3-yl)-4-methylthiophene-3-carboxamide

N-(1-hydroxypentan-3-yl)-4-methylthiophene-3-carboxamide (PubChem CID 75389858) has the molecular formula C11H17NO2S and a molecular weight of 227.33 g/mol. Its IUPAC name is N-(1-hydroxypentan-3-yl)-4-methylthiophene-3-carboxamide.

Molecular Properties

Compound NameN-(1-hydroxypentan-3-yl)-4-methylthiophene-3-carboxamide
PubChem CID75389858
Molecular FormulaC11H17NO2S
Molecular Weight227.33 g/mol
Exact Mass227.10
IUPAC NameN-(1-hydroxypentan-3-yl)-4-methylthiophene-3-carboxamide
SMILESCCC(CCO)NC(=O)c1cscc1C
InChIInChI=1S/C11H17NO2S/c1-3-9(4-5-13)12-11(14)10-7-15-6-8(10)2/h6-7,9,13H,3-5H2,1-2H3,(H,12,14)
InChIKeyLBXAOGPVAHTIGL-UHFFFAOYSA-N
XLogP1.95
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxypentan-3-yl)-4-methylthiophene-3-carboxamide?
The IUPAC name of N-(1-hydroxypentan-3-yl)-4-methylthiophene-3-carboxamide (CID 75389858) is N-(1-hydroxypentan-3-yl)-4-methylthiophene-3-carboxamide.
What is the SMILES notation for N-(1-hydroxypentan-3-yl)-4-methylthiophene-3-carboxamide?
The canonical SMILES for N-(1-hydroxypentan-3-yl)-4-methylthiophene-3-carboxamide is CCC(CCO)NC(=O)c1cscc1C.
What is the InChIKey of N-(1-hydroxypentan-3-yl)-4-methylthiophene-3-carboxamide?
The InChIKey is LBXAOGPVAHTIGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2S/c1-3-9(4-5-13)12-11(14)10-7-15-6-8(10)2/h6-7,9,13H,3-5H2,1-2H3,(H,12,14).
What are the key properties of N-(1-hydroxypentan-3-yl)-4-methylthiophene-3-carboxamide?
N-(1-hydroxypentan-3-yl)-4-methylthiophene-3-carboxamide has a molecular weight of 227.33 g/mol, XLogP of 1.95, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxypentan-3-yl)-4-methylthiophene-3-carboxamide is sourced from PubChem (CID 75389858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).