propan-2-amine;thiophene-2-carboxylic acid

C8H13NO2S — CID 174701743

IUPACpropan-2-amine;thiophene-2-carboxylic acid
SMILESCC(C)N.O=C(O)c1cccs1
InChIInChI=1S/C5H4O2S.C3H9N/c6-5(7)4-2-1-3-8-4;1-3(2)4/h1-3H,(H,6,7);3H,4H2,1-2H3
InChIKeySPCIZTXJRGUKBN-UHFFFAOYSA-N
MW187.26 g/mol
LogP1.80
Rot. Bonds1

About propan-2-amine;thiophene-2-carboxylic acid

propan-2-amine;thiophene-2-carboxylic acid (PubChem CID 174701743) has the molecular formula C8H13NO2S and a molecular weight of 187.26 g/mol. Its IUPAC name is propan-2-amine;thiophene-2-carboxylic acid.

Molecular Properties

Compound Namepropan-2-amine;thiophene-2-carboxylic acid
PubChem CID174701743
Molecular FormulaC8H13NO2S
Molecular Weight187.26 g/mol
Exact Mass187.07
IUPAC Namepropan-2-amine;thiophene-2-carboxylic acid
SMILESCC(C)N.O=C(O)c1cccs1
InChIInChI=1S/C5H4O2S.C3H9N/c6-5(7)4-2-1-3-8-4;1-3(2)4/h1-3H,(H,6,7);3H,4H2,1-2H3
InChIKeySPCIZTXJRGUKBN-UHFFFAOYSA-N
XLogP1.80
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.26
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of propan-2-amine;thiophene-2-carboxylic acid?
The IUPAC name of propan-2-amine;thiophene-2-carboxylic acid (CID 174701743) is propan-2-amine;thiophene-2-carboxylic acid.
What is the SMILES notation for propan-2-amine;thiophene-2-carboxylic acid?
The canonical SMILES for propan-2-amine;thiophene-2-carboxylic acid is CC(C)N.O=C(O)c1cccs1.
What is the InChIKey of propan-2-amine;thiophene-2-carboxylic acid?
The InChIKey is SPCIZTXJRGUKBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4O2S.C3H9N/c6-5(7)4-2-1-3-8-4;1-3(2)4/h1-3H,(H,6,7);3H,4H2,1-2H3.
What are the key properties of propan-2-amine;thiophene-2-carboxylic acid?
propan-2-amine;thiophene-2-carboxylic acid has a molecular weight of 187.26 g/mol, XLogP of 1.80, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-amine;thiophene-2-carboxylic acid is sourced from PubChem (CID 174701743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).