1-amino-N-[2-(1-benzothiophen-3-yl)ethyl]cyclohexane-1-carboxamide;hydrochloride

C17H23ClN2OS — CID 119296493

IUPAC1-amino-N-[2-(1-benzothiophen-3-yl)ethyl]cyclohexane-1-carboxamide;hydrochloride
SMILESCl.NC1(C(=O)NCCc2csc3ccccc23)CCCCC1
InChIInChI=1S/C17H22N2OS.ClH/c18-17(9-4-1-5-10-17)16(20)19-11-8-13-12-21-15-7-3-2-6-14(13)15;/h2-3,6-7,12H,1,4-5,8-11,18H2,(H,19,20);1H
InChIKeyHNJXPSVRMGOOLC-UHFFFAOYSA-N
MW338.90 g/mol
LogP3.64
Rot. Bonds4

About 1-amino-N-[2-(1-benzothiophen-3-yl)ethyl]cyclohexane-1-carboxamide;hydrochloride

1-amino-N-[2-(1-benzothiophen-3-yl)ethyl]cyclohexane-1-carboxamide;hydrochloride (PubChem CID 119296493) has the molecular formula C17H23ClN2OS and a molecular weight of 338.90 g/mol. Its IUPAC name is 1-amino-N-[2-(1-benzothiophen-3-yl)ethyl]cyclohexane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-amino-N-[2-(1-benzothiophen-3-yl)ethyl]cyclohexane-1-carboxamide;hydrochloride
PubChem CID119296493
Molecular FormulaC17H23ClN2OS
Molecular Weight338.90 g/mol
Exact Mass338.12
IUPAC Name1-amino-N-[2-(1-benzothiophen-3-yl)ethyl]cyclohexane-1-carboxamide;hydrochloride
SMILESCl.NC1(C(=O)NCCc2csc3ccccc23)CCCCC1
InChIInChI=1S/C17H22N2OS.ClH/c18-17(9-4-1-5-10-17)16(20)19-11-8-13-12-21-15-7-3-2-6-14(13)15;/h2-3,6-7,12H,1,4-5,8-11,18H2,(H,19,20);1H
InChIKeyHNJXPSVRMGOOLC-UHFFFAOYSA-N
XLogP3.64
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.90
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[2-(1-benzothiophen-3-yl)ethyl]cyclohexane-1-carboxamide;hydrochloride?
The IUPAC name of 1-amino-N-[2-(1-benzothiophen-3-yl)ethyl]cyclohexane-1-carboxamide;hydrochloride (CID 119296493) is 1-amino-N-[2-(1-benzothiophen-3-yl)ethyl]cyclohexane-1-carboxamide;hydrochloride.
What is the SMILES notation for 1-amino-N-[2-(1-benzothiophen-3-yl)ethyl]cyclohexane-1-carboxamide;hydrochloride?
The canonical SMILES for 1-amino-N-[2-(1-benzothiophen-3-yl)ethyl]cyclohexane-1-carboxamide;hydrochloride is Cl.NC1(C(=O)NCCc2csc3ccccc23)CCCCC1.
What is the InChIKey of 1-amino-N-[2-(1-benzothiophen-3-yl)ethyl]cyclohexane-1-carboxamide;hydrochloride?
The InChIKey is HNJXPSVRMGOOLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2OS.ClH/c18-17(9-4-1-5-10-17)16(20)19-11-8-13-12-21-15-7-3-2-6-14(13)15;/h2-3,6-7,12H,1,4-5,8-11,18H2,(H,19,20);1H.
What are the key properties of 1-amino-N-[2-(1-benzothiophen-3-yl)ethyl]cyclohexane-1-carboxamide;hydrochloride?
1-amino-N-[2-(1-benzothiophen-3-yl)ethyl]cyclohexane-1-carboxamide;hydrochloride has a molecular weight of 338.90 g/mol, XLogP of 3.64, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[2-(1-benzothiophen-3-yl)ethyl]cyclohexane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119296493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).