N-[3-(hydroxymethyl)pentan-3-yl]thiophene-3-carboxamide

C11H17NO2S — CID 62516901

IUPACN-[3-(hydroxymethyl)pentan-3-yl]thiophene-3-carboxamide
SMILESCCC(CC)(CO)NC(=O)c1ccsc1
InChIInChI=1S/C11H17NO2S/c1-3-11(4-2,8-13)12-10(14)9-5-6-15-7-9/h5-7,13H,3-4,8H2,1-2H3,(H,12,14)
InChIKeyRFMRDBAQEGBQSR-UHFFFAOYSA-N
MW227.33 g/mol
LogP2.03
Rot. Bonds5

About N-[3-(hydroxymethyl)pentan-3-yl]thiophene-3-carboxamide

N-[3-(hydroxymethyl)pentan-3-yl]thiophene-3-carboxamide (PubChem CID 62516901) has the molecular formula C11H17NO2S and a molecular weight of 227.33 g/mol. Its IUPAC name is N-[3-(hydroxymethyl)pentan-3-yl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[3-(hydroxymethyl)pentan-3-yl]thiophene-3-carboxamide
PubChem CID62516901
Molecular FormulaC11H17NO2S
Molecular Weight227.33 g/mol
Exact Mass227.10
IUPAC NameN-[3-(hydroxymethyl)pentan-3-yl]thiophene-3-carboxamide
SMILESCCC(CC)(CO)NC(=O)c1ccsc1
InChIInChI=1S/C11H17NO2S/c1-3-11(4-2,8-13)12-10(14)9-5-6-15-7-9/h5-7,13H,3-4,8H2,1-2H3,(H,12,14)
InChIKeyRFMRDBAQEGBQSR-UHFFFAOYSA-N
XLogP2.03
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 ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3-(hydroxymethyl)pentan-3-yl]thiophene-3-carboxamide?
The IUPAC name of N-[3-(hydroxymethyl)pentan-3-yl]thiophene-3-carboxamide (CID 62516901) is N-[3-(hydroxymethyl)pentan-3-yl]thiophene-3-carboxamide.
What is the SMILES notation for N-[3-(hydroxymethyl)pentan-3-yl]thiophene-3-carboxamide?
The canonical SMILES for N-[3-(hydroxymethyl)pentan-3-yl]thiophene-3-carboxamide is CCC(CC)(CO)NC(=O)c1ccsc1.
What is the InChIKey of N-[3-(hydroxymethyl)pentan-3-yl]thiophene-3-carboxamide?
The InChIKey is RFMRDBAQEGBQSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2S/c1-3-11(4-2,8-13)12-10(14)9-5-6-15-7-9/h5-7,13H,3-4,8H2,1-2H3,(H,12,14).
What are the key properties of N-[3-(hydroxymethyl)pentan-3-yl]thiophene-3-carboxamide?
N-[3-(hydroxymethyl)pentan-3-yl]thiophene-3-carboxamide has a molecular weight of 227.33 g/mol, XLogP of 2.03, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(hydroxymethyl)pentan-3-yl]thiophene-3-carboxamide is sourced from PubChem (CID 62516901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).