N-[2-(cycloheptylamino)ethyl]-3-methylsulfanylthiophene-2-carboxamide;hydrochloride

C15H25ClN2OS2 — CID 119619363

IUPACN-[2-(cycloheptylamino)ethyl]-3-methylsulfanylthiophene-2-carboxamide;hydrochloride
SMILESCSc1ccsc1C(=O)NCCNC1CCCCCC1.Cl
InChIInChI=1S/C15H24N2OS2.ClH/c1-19-13-8-11-20-14(13)15(18)17-10-9-16-12-6-4-2-3-5-7-12;/h8,11-12,16H,2-7,9-10H2,1H3,(H,17,18);1H
InChIKeyZYFIWOCDYACYFG-UHFFFAOYSA-N
MW348.97 g/mol
LogP3.93
Rot. Bonds6

About N-[2-(cycloheptylamino)ethyl]-3-methylsulfanylthiophene-2-carboxamide;hydrochloride

N-[2-(cycloheptylamino)ethyl]-3-methylsulfanylthiophene-2-carboxamide;hydrochloride (PubChem CID 119619363) has the molecular formula C15H25ClN2OS2 and a molecular weight of 348.97 g/mol. Its IUPAC name is N-[2-(cycloheptylamino)ethyl]-3-methylsulfanylthiophene-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(cycloheptylamino)ethyl]-3-methylsulfanylthiophene-2-carboxamide;hydrochloride
PubChem CID119619363
Molecular FormulaC15H25ClN2OS2
Molecular Weight348.97 g/mol
Exact Mass348.11
IUPAC NameN-[2-(cycloheptylamino)ethyl]-3-methylsulfanylthiophene-2-carboxamide;hydrochloride
SMILESCSc1ccsc1C(=O)NCCNC1CCCCCC1.Cl
InChIInChI=1S/C15H24N2OS2.ClH/c1-19-13-8-11-20-14(13)15(18)17-10-9-16-12-6-4-2-3-5-7-12;/h8,11-12,16H,2-7,9-10H2,1H3,(H,17,18);1H
InChIKeyZYFIWOCDYACYFG-UHFFFAOYSA-N
XLogP3.93
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.97
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(cycloheptylamino)ethyl]-3-methylsulfanylthiophene-2-carboxamide;hydrochloride?
The IUPAC name of N-[2-(cycloheptylamino)ethyl]-3-methylsulfanylthiophene-2-carboxamide;hydrochloride (CID 119619363) is N-[2-(cycloheptylamino)ethyl]-3-methylsulfanylthiophene-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[2-(cycloheptylamino)ethyl]-3-methylsulfanylthiophene-2-carboxamide;hydrochloride?
The canonical SMILES for N-[2-(cycloheptylamino)ethyl]-3-methylsulfanylthiophene-2-carboxamide;hydrochloride is CSc1ccsc1C(=O)NCCNC1CCCCCC1.Cl.
What is the InChIKey of N-[2-(cycloheptylamino)ethyl]-3-methylsulfanylthiophene-2-carboxamide;hydrochloride?
The InChIKey is ZYFIWOCDYACYFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2OS2.ClH/c1-19-13-8-11-20-14(13)15(18)17-10-9-16-12-6-4-2-3-5-7-12;/h8,11-12,16H,2-7,9-10H2,1H3,(H,17,18);1H.
What are the key properties of N-[2-(cycloheptylamino)ethyl]-3-methylsulfanylthiophene-2-carboxamide;hydrochloride?
N-[2-(cycloheptylamino)ethyl]-3-methylsulfanylthiophene-2-carboxamide;hydrochloride has a molecular weight of 348.97 g/mol, XLogP of 3.93, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cycloheptylamino)ethyl]-3-methylsulfanylthiophene-2-carboxamide;hydrochloride is sourced from PubChem (CID 119619363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).