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

C17H26N2OS — CID 14040442

IUPACN-methyl-N-[(1S,2R)-2-pyrrolidin-1-ylcyclohexyl]-2-thiophen-2-ylacetamide
SMILESCN(C(=O)Cc1cccs1)[C@H]1CCCC[C@H]1N1CCCC1
InChIInChI=1S/C17H26N2OS/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/t15-,16+/m0/s1
InChIKeyCKUZGWDFPOYMNZ-JKSUJKDBSA-N
MW306.47 g/mol
LogP3.16
Rot. Bonds4

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

N-methyl-N-[(1S,2R)-2-pyrrolidin-1-ylcyclohexyl]-2-thiophen-2-ylacetamide (PubChem CID 14040442) 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-2-ylacetamide.

Molecular Properties

Compound NameN-methyl-N-[(1S,2R)-2-pyrrolidin-1-ylcyclohexyl]-2-thiophen-2-ylacetamide
PubChem CID14040442
Molecular FormulaC17H26N2OS
Molecular Weight306.47 g/mol
Exact Mass306.18
IUPAC NameN-methyl-N-[(1S,2R)-2-pyrrolidin-1-ylcyclohexyl]-2-thiophen-2-ylacetamide
SMILESCN(C(=O)Cc1cccs1)[C@H]1CCCC[C@H]1N1CCCC1
InChIInChI=1S/C17H26N2OS/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/t15-,16+/m0/s1
InChIKeyCKUZGWDFPOYMNZ-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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Related Compounds

1-[(2S)-2-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]-4-thiophen-2-ylbutan-1-one
CID 15080767
N-methyl-N-[(1R,2R)-2-pyrrolidin-1-ylcyclohexyl]-2-thiophen-2-ylacetamide;hydrochloride
CID 45263010
N,N-bis(cyanomethyl)-2-thiophen-2-ylacetamide
CID 842500
N-methyl-N-[(1S,2R)-2-pyrrolidin-1-ylcyclohexyl]-2-thiophen-3-ylacetamide
CID 14771405
1-[2-(Diethylamino)ethyl]-3,4-dithiophen-2-ylpyrrole-2,5-dione
CID 44452694
1-(4-Methylpiperazin-1-yl)-4-(thiophen-2-yl)butan-1-one
CID 60634783
Acetamide, 2-(2-thiophenyl)-N-ethyl-N-butyl-
CID 2166904
2-Thiopheneacetamide, N,N-dibutyl-
CID 532844
N-(ethylpropyl)-2-(2-thienyl)acetamide
CID 670789
N-[2-(dimethylamino)ethyl]-2-(thiophen-2-yl)acetamide
CID 803009
N-[(1-ethylpyrrolidin-2-yl)methyl]-3-thiophen-2-ylpropanamide
CID 53523931
1-[(2S,3aR,7aS)-1-acetyl-2-[(dimethylamino)methyl]-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridin-5-yl]-2-thiophen-2-ylethanone
CID 97460092

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(1S,2R)-2-pyrrolidin-1-ylcyclohexyl]-2-thiophen-2-ylacetamide?
The IUPAC name of N-methyl-N-[(1S,2R)-2-pyrrolidin-1-ylcyclohexyl]-2-thiophen-2-ylacetamide (CID 14040442) is N-methyl-N-[(1S,2R)-2-pyrrolidin-1-ylcyclohexyl]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-methyl-N-[(1S,2R)-2-pyrrolidin-1-ylcyclohexyl]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-methyl-N-[(1S,2R)-2-pyrrolidin-1-ylcyclohexyl]-2-thiophen-2-ylacetamide is CN(C(=O)Cc1cccs1)[C@H]1CCCC[C@H]1N1CCCC1.
What is the InChIKey of N-methyl-N-[(1S,2R)-2-pyrrolidin-1-ylcyclohexyl]-2-thiophen-2-ylacetamide?
The InChIKey is CKUZGWDFPOYMNZ-JKSUJKDBSA-N. The full InChI is InChI=1S/C17H26N2OS/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/t15-,16+/m0/s1.
What are the key properties of N-methyl-N-[(1S,2R)-2-pyrrolidin-1-ylcyclohexyl]-2-thiophen-2-ylacetamide?
N-methyl-N-[(1S,2R)-2-pyrrolidin-1-ylcyclohexyl]-2-thiophen-2-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-2-ylacetamide is sourced from PubChem (CID 14040442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).