N-methyl-N-[(1R,2R)-2-pyrrolidin-1-ylcyclohexyl]-2-thiophen-2-ylacetamide;hydrochloride

C17H27ClN2OS — CID 45263010

IUPACN-methyl-N-[(1R,2R)-2-pyrrolidin-1-ylcyclohexyl]-2-thiophen-2-ylacetamide;hydrochloride
SMILESCN(C(=O)Cc1cccs1)[C@@H]1CCCC[C@H]1N1CCCC1.Cl
InChIInChI=1S/C17H26N2OS.ClH/c1-18(17(20)13-14-7-6-12-21-14)15-8-2-3-9-16(15)19-10-4-5-11-19;/h6-7,12,15-16H,2-5,8-11,13H2,1H3;1H/t15-,16-;/m1./s1
InChIKeyZRFJOWKPZPRWFH-QNBGGDODSA-N
MW342.94 g/mol
LogP3.58
Rot. Bonds4

About N-methyl-N-[(1R,2R)-2-pyrrolidin-1-ylcyclohexyl]-2-thiophen-2-ylacetamide;hydrochloride

N-methyl-N-[(1R,2R)-2-pyrrolidin-1-ylcyclohexyl]-2-thiophen-2-ylacetamide;hydrochloride (PubChem CID 45263010) has the molecular formula C17H27ClN2OS and a molecular weight of 342.94 g/mol. Its IUPAC name is N-methyl-N-[(1R,2R)-2-pyrrolidin-1-ylcyclohexyl]-2-thiophen-2-ylacetamide;hydrochloride.

Molecular Properties

Compound NameN-methyl-N-[(1R,2R)-2-pyrrolidin-1-ylcyclohexyl]-2-thiophen-2-ylacetamide;hydrochloride
PubChem CID45263010
Molecular FormulaC17H27ClN2OS
Molecular Weight342.94 g/mol
Exact Mass342.15
IUPAC NameN-methyl-N-[(1R,2R)-2-pyrrolidin-1-ylcyclohexyl]-2-thiophen-2-ylacetamide;hydrochloride
SMILESCN(C(=O)Cc1cccs1)[C@@H]1CCCC[C@H]1N1CCCC1.Cl
InChIInChI=1S/C17H26N2OS.ClH/c1-18(17(20)13-14-7-6-12-21-14)15-8-2-3-9-16(15)19-10-4-5-11-19;/h6-7,12,15-16H,2-5,8-11,13H2,1H3;1H/t15-,16-;/m1./s1
InChIKeyZRFJOWKPZPRWFH-QNBGGDODSA-N
XLogP3.58
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.94
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-methyl-N-[(1R,2R)-2-pyrrolidin-1-ylcyclohexyl]-2-thiophen-2-ylacetamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(1R,2R)-2-pyrrolidin-1-ylcyclohexyl]-2-thiophen-2-ylacetamide;hydrochloride?
The IUPAC name of N-methyl-N-[(1R,2R)-2-pyrrolidin-1-ylcyclohexyl]-2-thiophen-2-ylacetamide;hydrochloride (CID 45263010) is N-methyl-N-[(1R,2R)-2-pyrrolidin-1-ylcyclohexyl]-2-thiophen-2-ylacetamide;hydrochloride.
What is the SMILES notation for N-methyl-N-[(1R,2R)-2-pyrrolidin-1-ylcyclohexyl]-2-thiophen-2-ylacetamide;hydrochloride?
The canonical SMILES for N-methyl-N-[(1R,2R)-2-pyrrolidin-1-ylcyclohexyl]-2-thiophen-2-ylacetamide;hydrochloride is CN(C(=O)Cc1cccs1)[C@@H]1CCCC[C@H]1N1CCCC1.Cl.
What is the InChIKey of N-methyl-N-[(1R,2R)-2-pyrrolidin-1-ylcyclohexyl]-2-thiophen-2-ylacetamide;hydrochloride?
The InChIKey is ZRFJOWKPZPRWFH-QNBGGDODSA-N. The full InChI is InChI=1S/C17H26N2OS.ClH/c1-18(17(20)13-14-7-6-12-21-14)15-8-2-3-9-16(15)19-10-4-5-11-19;/h6-7,12,15-16H,2-5,8-11,13H2,1H3;1H/t15-,16-;/m1./s1.
What are the key properties of N-methyl-N-[(1R,2R)-2-pyrrolidin-1-ylcyclohexyl]-2-thiophen-2-ylacetamide;hydrochloride?
N-methyl-N-[(1R,2R)-2-pyrrolidin-1-ylcyclohexyl]-2-thiophen-2-ylacetamide;hydrochloride has a molecular weight of 342.94 g/mol, XLogP of 3.58, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(1R,2R)-2-pyrrolidin-1-ylcyclohexyl]-2-thiophen-2-ylacetamide;hydrochloride is sourced from PubChem (CID 45263010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).