N-[(1R,2R)-2-hydroxycyclopentyl]-4-propan-2-ylthiophene-2-carboxamide

C13H19NO2S — CID 139326855

IUPACN-[(1R,2R)-2-hydroxycyclopentyl]-4-propan-2-ylthiophene-2-carboxamide
SMILESCC(C)c1csc(C(=O)N[C@@H]2CCC[C@H]2O)c1
InChIInChI=1S/C13H19NO2S/c1-8(2)9-6-12(17-7-9)13(16)14-10-4-3-5-11(10)15/h6-8,10-11,15H,3-5H2,1-2H3,(H,14,16)/t10-,11-/m1/s1
InChIKeyNXSGXWKWEOBFKD-GHMZBOCLSA-N
MW253.37 g/mol
LogP2.51
Rot. Bonds3

About N-[(1R,2R)-2-hydroxycyclopentyl]-4-propan-2-ylthiophene-2-carboxamide

N-[(1R,2R)-2-hydroxycyclopentyl]-4-propan-2-ylthiophene-2-carboxamide (PubChem CID 139326855) has the molecular formula C13H19NO2S and a molecular weight of 253.37 g/mol. Its IUPAC name is N-[(1R,2R)-2-hydroxycyclopentyl]-4-propan-2-ylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(1R,2R)-2-hydroxycyclopentyl]-4-propan-2-ylthiophene-2-carboxamide
PubChem CID139326855
Molecular FormulaC13H19NO2S
Molecular Weight253.37 g/mol
Exact Mass253.11
IUPAC NameN-[(1R,2R)-2-hydroxycyclopentyl]-4-propan-2-ylthiophene-2-carboxamide
SMILESCC(C)c1csc(C(=O)N[C@@H]2CCC[C@H]2O)c1
InChIInChI=1S/C13H19NO2S/c1-8(2)9-6-12(17-7-9)13(16)14-10-4-3-5-11(10)15/h6-8,10-11,15H,3-5H2,1-2H3,(H,14,16)/t10-,11-/m1/s1
InChIKeyNXSGXWKWEOBFKD-GHMZBOCLSA-N
XLogP2.51
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-2-hydroxycyclopentyl]-4-propan-2-ylthiophene-2-carboxamide?
The IUPAC name of N-[(1R,2R)-2-hydroxycyclopentyl]-4-propan-2-ylthiophene-2-carboxamide (CID 139326855) is N-[(1R,2R)-2-hydroxycyclopentyl]-4-propan-2-ylthiophene-2-carboxamide.
What is the SMILES notation for N-[(1R,2R)-2-hydroxycyclopentyl]-4-propan-2-ylthiophene-2-carboxamide?
The canonical SMILES for N-[(1R,2R)-2-hydroxycyclopentyl]-4-propan-2-ylthiophene-2-carboxamide is CC(C)c1csc(C(=O)N[C@@H]2CCC[C@H]2O)c1.
What is the InChIKey of N-[(1R,2R)-2-hydroxycyclopentyl]-4-propan-2-ylthiophene-2-carboxamide?
The InChIKey is NXSGXWKWEOBFKD-GHMZBOCLSA-N. The full InChI is InChI=1S/C13H19NO2S/c1-8(2)9-6-12(17-7-9)13(16)14-10-4-3-5-11(10)15/h6-8,10-11,15H,3-5H2,1-2H3,(H,14,16)/t10-,11-/m1/s1.
What are the key properties of N-[(1R,2R)-2-hydroxycyclopentyl]-4-propan-2-ylthiophene-2-carboxamide?
N-[(1R,2R)-2-hydroxycyclopentyl]-4-propan-2-ylthiophene-2-carboxamide has a molecular weight of 253.37 g/mol, XLogP of 2.51, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-2-hydroxycyclopentyl]-4-propan-2-ylthiophene-2-carboxamide is sourced from PubChem (CID 139326855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).