butanoic acid;thiophen-3-amine;hydrochloride

C8H14ClNO2S — CID 175171086

IUPACbutanoic acid;thiophen-3-amine;hydrochloride
SMILESCCCC(=O)O.Cl.Nc1ccsc1
InChIInChI=1S/C4H5NS.C4H8O2.ClH/c5-4-1-2-6-3-4;1-2-3-4(5)6;/h1-3H,5H2;2-3H2,1H3,(H,5,6);1H
InChIKeyMSIYKCVKCWPOMJ-UHFFFAOYSA-N
MW223.72 g/mol
LogP2.62
Rot. Bonds2

About butanoic acid;thiophen-3-amine;hydrochloride

butanoic acid;thiophen-3-amine;hydrochloride (PubChem CID 175171086) has the molecular formula C8H14ClNO2S and a molecular weight of 223.72 g/mol. Its IUPAC name is butanoic acid;thiophen-3-amine;hydrochloride.

Molecular Properties

Compound Namebutanoic acid;thiophen-3-amine;hydrochloride
PubChem CID175171086
Molecular FormulaC8H14ClNO2S
Molecular Weight223.72 g/mol
Exact Mass223.04
IUPAC Namebutanoic acid;thiophen-3-amine;hydrochloride
SMILESCCCC(=O)O.Cl.Nc1ccsc1
InChIInChI=1S/C4H5NS.C4H8O2.ClH/c5-4-1-2-6-3-4;1-2-3-4(5)6;/h1-3H,5H2;2-3H2,1H3,(H,5,6);1H
InChIKeyMSIYKCVKCWPOMJ-UHFFFAOYSA-N
XLogP2.62
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.72
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 158253806
thiophen-3-amine
CID 640543
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CID 173423767
sodium;butanoic acid;hydride;hydrochloride
CID 174274884
butanoic acid;heptahydrofluoride
CID 172757824
dialuminum;butanoic acid
CID 175897781
CID 87408506
CID 87408506
butanoic acid;copper
CID 57425269
azane;butanoic acid
CID 175057491
butanoic acid;mercury
CID 87059277
butanoic acid;zirconium
CID 87090666
CID 88693438
CID 88693438

Frequently Asked Questions

What is the IUPAC name of butanoic acid;thiophen-3-amine;hydrochloride?
The IUPAC name of butanoic acid;thiophen-3-amine;hydrochloride (CID 175171086) is butanoic acid;thiophen-3-amine;hydrochloride.
What is the SMILES notation for butanoic acid;thiophen-3-amine;hydrochloride?
The canonical SMILES for butanoic acid;thiophen-3-amine;hydrochloride is CCCC(=O)O.Cl.Nc1ccsc1.
What is the InChIKey of butanoic acid;thiophen-3-amine;hydrochloride?
The InChIKey is MSIYKCVKCWPOMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5NS.C4H8O2.ClH/c5-4-1-2-6-3-4;1-2-3-4(5)6;/h1-3H,5H2;2-3H2,1H3,(H,5,6);1H.
What are the key properties of butanoic acid;thiophen-3-amine;hydrochloride?
butanoic acid;thiophen-3-amine;hydrochloride has a molecular weight of 223.72 g/mol, XLogP of 2.62, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butanoic acid;thiophen-3-amine;hydrochloride is sourced from PubChem (CID 175171086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).