N-methyl-N-[(1S,2R)-2-pyrrolidin-1-ylcyclohexyl]-2-thiophen-3-ylacetamide

C17H26N2OS — CID 14771405

IUPACN-methyl-N-[(1S,2R)-2-pyrrolidin-1-ylcyclohexyl]-2-thiophen-3-ylacetamide
SMILESCN(C(=O)Cc1ccsc1)[C@H]1CCCC[C@H]1N1CCCC1
InChIInChI=1S/C17H26N2OS/c1-18(17(20)12-14-8-11-21-13-14)15-6-2-3-7-16(15)19-9-4-5-10-19/h8,11,13,15-16H,2-7,9-10,12H2,1H3/t15-,16+/m0/s1
InChIKeyWJBSABKYCUWDRY-JKSUJKDBSA-N
MW306.47 g/mol
LogP3.16
Rot. Bonds4

About N-methyl-N-[(1S,2R)-2-pyrrolidin-1-ylcyclohexyl]-2-thiophen-3-ylacetamide

N-methyl-N-[(1S,2R)-2-pyrrolidin-1-ylcyclohexyl]-2-thiophen-3-ylacetamide (PubChem CID 14771405) has the molecular formula C17H26N2OS and a molecular weight of 306.47 g/mol. Its IUPAC name is N-methyl-N-[(1S,2R)-2-pyrrolidin-1-ylcyclohexyl]-2-thiophen-3-ylacetamide.

Molecular Properties

Compound NameN-methyl-N-[(1S,2R)-2-pyrrolidin-1-ylcyclohexyl]-2-thiophen-3-ylacetamide
PubChem CID14771405
Molecular FormulaC17H26N2OS
Molecular Weight306.47 g/mol
Exact Mass306.18
IUPAC NameN-methyl-N-[(1S,2R)-2-pyrrolidin-1-ylcyclohexyl]-2-thiophen-3-ylacetamide
SMILESCN(C(=O)Cc1ccsc1)[C@H]1CCCC[C@H]1N1CCCC1
InChIInChI=1S/C17H26N2OS/c1-18(17(20)12-14-8-11-21-13-14)15-6-2-3-7-16(15)19-9-4-5-10-19/h8,11,13,15-16H,2-7,9-10,12H2,1H3/t15-,16+/m0/s1
InChIKeyWJBSABKYCUWDRY-JKSUJKDBSA-N
XLogP3.16
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.47
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(1S,2R)-2-pyrrolidin-1-ylcyclohexyl]-2-thiophen-3-ylacetamide?
The IUPAC name of N-methyl-N-[(1S,2R)-2-pyrrolidin-1-ylcyclohexyl]-2-thiophen-3-ylacetamide (CID 14771405) is N-methyl-N-[(1S,2R)-2-pyrrolidin-1-ylcyclohexyl]-2-thiophen-3-ylacetamide.
What is the SMILES notation for N-methyl-N-[(1S,2R)-2-pyrrolidin-1-ylcyclohexyl]-2-thiophen-3-ylacetamide?
The canonical SMILES for N-methyl-N-[(1S,2R)-2-pyrrolidin-1-ylcyclohexyl]-2-thiophen-3-ylacetamide is CN(C(=O)Cc1ccsc1)[C@H]1CCCC[C@H]1N1CCCC1.
What is the InChIKey of N-methyl-N-[(1S,2R)-2-pyrrolidin-1-ylcyclohexyl]-2-thiophen-3-ylacetamide?
The InChIKey is WJBSABKYCUWDRY-JKSUJKDBSA-N. The full InChI is InChI=1S/C17H26N2OS/c1-18(17(20)12-14-8-11-21-13-14)15-6-2-3-7-16(15)19-9-4-5-10-19/h8,11,13,15-16H,2-7,9-10,12H2,1H3/t15-,16+/m0/s1.
What are the key properties of N-methyl-N-[(1S,2R)-2-pyrrolidin-1-ylcyclohexyl]-2-thiophen-3-ylacetamide?
N-methyl-N-[(1S,2R)-2-pyrrolidin-1-ylcyclohexyl]-2-thiophen-3-ylacetamide has a molecular weight of 306.47 g/mol, XLogP of 3.16, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(1S,2R)-2-pyrrolidin-1-ylcyclohexyl]-2-thiophen-3-ylacetamide is sourced from PubChem (CID 14771405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).