N-[(2S)-1-hydroxy-4-methylpentan-2-yl]thiophene-2-carboxamide

C11H17NO2S — CID 39247163

IUPACN-[(2S)-1-hydroxy-4-methylpentan-2-yl]thiophene-2-carboxamide
SMILESCC(C)C[C@@H](CO)NC(=O)c1cccs1
InChIInChI=1S/C11H17NO2S/c1-8(2)6-9(7-13)12-11(14)10-4-3-5-15-10/h3-5,8-9,13H,6-7H2,1-2H3,(H,12,14)/t9-/m0/s1
InChIKeyJVXJQMRCFCCUPB-VIFPVBQESA-N
MW227.33 g/mol
LogP1.88
Rot. Bonds5

About N-[(2S)-1-hydroxy-4-methylpentan-2-yl]thiophene-2-carboxamide

N-[(2S)-1-hydroxy-4-methylpentan-2-yl]thiophene-2-carboxamide (PubChem CID 39247163) has the molecular formula C11H17NO2S and a molecular weight of 227.33 g/mol. Its IUPAC name is N-[(2S)-1-hydroxy-4-methylpentan-2-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-hydroxy-4-methylpentan-2-yl]thiophene-2-carboxamide
PubChem CID39247163
Molecular FormulaC11H17NO2S
Molecular Weight227.33 g/mol
Exact Mass227.10
IUPAC NameN-[(2S)-1-hydroxy-4-methylpentan-2-yl]thiophene-2-carboxamide
SMILESCC(C)C[C@@H](CO)NC(=O)c1cccs1
InChIInChI=1S/C11H17NO2S/c1-8(2)6-9(7-13)12-11(14)10-4-3-5-15-10/h3-5,8-9,13H,6-7H2,1-2H3,(H,12,14)/t9-/m0/s1
InChIKeyJVXJQMRCFCCUPB-VIFPVBQESA-N
XLogP1.88
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 ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-hydroxy-4-methylpentan-2-yl]thiophene-2-carboxamide?
The IUPAC name of N-[(2S)-1-hydroxy-4-methylpentan-2-yl]thiophene-2-carboxamide (CID 39247163) is N-[(2S)-1-hydroxy-4-methylpentan-2-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[(2S)-1-hydroxy-4-methylpentan-2-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[(2S)-1-hydroxy-4-methylpentan-2-yl]thiophene-2-carboxamide is CC(C)C[C@@H](CO)NC(=O)c1cccs1.
What is the InChIKey of N-[(2S)-1-hydroxy-4-methylpentan-2-yl]thiophene-2-carboxamide?
The InChIKey is JVXJQMRCFCCUPB-VIFPVBQESA-N. The full InChI is InChI=1S/C11H17NO2S/c1-8(2)6-9(7-13)12-11(14)10-4-3-5-15-10/h3-5,8-9,13H,6-7H2,1-2H3,(H,12,14)/t9-/m0/s1.
What are the key properties of N-[(2S)-1-hydroxy-4-methylpentan-2-yl]thiophene-2-carboxamide?
N-[(2S)-1-hydroxy-4-methylpentan-2-yl]thiophene-2-carboxamide has a molecular weight of 227.33 g/mol, XLogP of 1.88, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-hydroxy-4-methylpentan-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 39247163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).