2-(cycloheptylamino)-1-thiophen-2-ylethanone;hydrochloride

C13H20ClNOS — CID 12006222

IUPAC2-(cycloheptylamino)-1-thiophen-2-ylethanone;hydrochloride
SMILESCl.O=C(CNC1CCCCCC1)c1cccs1
InChIInChI=1S/C13H19NOS.ClH/c15-12(13-8-5-9-16-13)10-14-11-6-3-1-2-4-7-11;/h5,8-9,11,14H,1-4,6-7,10H2;1H
InChIKeyIPAHGXXQJIGPRA-UHFFFAOYSA-N
MW273.83 g/mol
LogP3.66
Rot. Bonds4

About 2-(cycloheptylamino)-1-thiophen-2-ylethanone;hydrochloride

2-(cycloheptylamino)-1-thiophen-2-ylethanone;hydrochloride (PubChem CID 12006222) has the molecular formula C13H20ClNOS and a molecular weight of 273.83 g/mol. Its IUPAC name is 2-(cycloheptylamino)-1-thiophen-2-ylethanone;hydrochloride.

Molecular Properties

Compound Name2-(cycloheptylamino)-1-thiophen-2-ylethanone;hydrochloride
PubChem CID12006222
Molecular FormulaC13H20ClNOS
Molecular Weight273.83 g/mol
Exact Mass273.10
IUPAC Name2-(cycloheptylamino)-1-thiophen-2-ylethanone;hydrochloride
SMILESCl.O=C(CNC1CCCCCC1)c1cccs1
InChIInChI=1S/C13H19NOS.ClH/c15-12(13-8-5-9-16-13)10-14-11-6-3-1-2-4-7-11;/h5,8-9,11,14H,1-4,6-7,10H2;1H
InChIKeyIPAHGXXQJIGPRA-UHFFFAOYSA-N
XLogP3.66
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.83
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(cycloheptylamino)-1-thiophen-2-ylethanone;hydrochloride?
The IUPAC name of 2-(cycloheptylamino)-1-thiophen-2-ylethanone;hydrochloride (CID 12006222) is 2-(cycloheptylamino)-1-thiophen-2-ylethanone;hydrochloride.
What is the SMILES notation for 2-(cycloheptylamino)-1-thiophen-2-ylethanone;hydrochloride?
The canonical SMILES for 2-(cycloheptylamino)-1-thiophen-2-ylethanone;hydrochloride is Cl.O=C(CNC1CCCCCC1)c1cccs1.
What is the InChIKey of 2-(cycloheptylamino)-1-thiophen-2-ylethanone;hydrochloride?
The InChIKey is IPAHGXXQJIGPRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NOS.ClH/c15-12(13-8-5-9-16-13)10-14-11-6-3-1-2-4-7-11;/h5,8-9,11,14H,1-4,6-7,10H2;1H.
What are the key properties of 2-(cycloheptylamino)-1-thiophen-2-ylethanone;hydrochloride?
2-(cycloheptylamino)-1-thiophen-2-ylethanone;hydrochloride has a molecular weight of 273.83 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cycloheptylamino)-1-thiophen-2-ylethanone;hydrochloride is sourced from PubChem (CID 12006222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).