N-[(5-chlorothiophen-2-yl)methyl]-2-(3-hydroxypyrrolidin-1-yl)-N-methylacetamide

C12H17ClN2O2S — CID 62918194

IUPACN-[(5-chlorothiophen-2-yl)methyl]-2-(3-hydroxypyrrolidin-1-yl)-N-methylacetamide
SMILESCN(Cc1ccc(Cl)s1)C(=O)CN1CCC(O)C1
InChIInChI=1S/C12H17ClN2O2S/c1-14(7-10-2-3-11(13)18-10)12(17)8-15-5-4-9(16)6-15/h2-3,9,16H,4-8H2,1H3
InChIKeyQTZUOHQHYPGEJC-UHFFFAOYSA-N
MW288.80 g/mol
LogP1.43
Rot. Bonds4

About N-[(5-chlorothiophen-2-yl)methyl]-2-(3-hydroxypyrrolidin-1-yl)-N-methylacetamide

N-[(5-chlorothiophen-2-yl)methyl]-2-(3-hydroxypyrrolidin-1-yl)-N-methylacetamide (PubChem CID 62918194) has the molecular formula C12H17ClN2O2S and a molecular weight of 288.80 g/mol. Its IUPAC name is N-[(5-chlorothiophen-2-yl)methyl]-2-(3-hydroxypyrrolidin-1-yl)-N-methylacetamide.

Molecular Properties

Compound NameN-[(5-chlorothiophen-2-yl)methyl]-2-(3-hydroxypyrrolidin-1-yl)-N-methylacetamide
PubChem CID62918194
Molecular FormulaC12H17ClN2O2S
Molecular Weight288.80 g/mol
Exact Mass288.07
IUPAC NameN-[(5-chlorothiophen-2-yl)methyl]-2-(3-hydroxypyrrolidin-1-yl)-N-methylacetamide
SMILESCN(Cc1ccc(Cl)s1)C(=O)CN1CCC(O)C1
InChIInChI=1S/C12H17ClN2O2S/c1-14(7-10-2-3-11(13)18-10)12(17)8-15-5-4-9(16)6-15/h2-3,9,16H,4-8H2,1H3
InChIKeyQTZUOHQHYPGEJC-UHFFFAOYSA-N
XLogP1.43
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.80
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(5-chlorothiophen-2-yl)methyl]-2-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-N-methylacetamide
CID 79410702
N-[(5-chlorothiophen-2-yl)methyl]-2-[2-(hydroxymethyl)morpholin-4-yl]-N-methylacetamide
CID 79832873
N-[(5-chlorothiophen-2-yl)methyl]-2-[(2S)-2-[(dimethylamino)methyl]morpholin-4-yl]-N-methylacetamide
CID 95757813
2-(3-amino-4-methylpyrrolidin-1-yl)-N-[(5-chlorothiophen-2-yl)methyl]-N-methylacetamide
CID 103577273
N-[(3,4-dichlorophenyl)methyl]-2-[(3S)-3-hydroxypyrrolidin-1-yl]-N-methylacetamide
CID 111123262
2-[4-[2-[(5-chlorothiophen-2-yl)methyl-methylamino]-2-oxoethyl]piperazin-1-yl]-N-propylacetamide
CID 30957750
N-[(5-chlorothiophen-2-yl)methyl]-2-[4-[(4-fluorophenyl)carbamoylamino]piperidin-1-yl]-N-methylacetamide
CID 112841545
N-[(5-chlorothiophen-2-yl)methyl]-2-(2,3-dihydroindol-1-yl)-N-methylacetamide
CID 112799700
N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-[(1S)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]acetamide
CID 39719183
2-[(3R)-3-hydroxypyrrolidin-1-yl]-N-methyl-N-[(2-methylphenyl)methyl]acetamide
CID 78963394
2-(3-hydroxypyrrolidin-1-yl)-N-methyl-N-[(2-methylphenyl)methyl]acetamide
CID 62916160
N-[(5-chlorothiophen-2-yl)methyl]-2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-N-methylacetamide
CID 62467093

Frequently Asked Questions

What is the IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-2-(3-hydroxypyrrolidin-1-yl)-N-methylacetamide?
The IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-2-(3-hydroxypyrrolidin-1-yl)-N-methylacetamide (CID 62918194) is N-[(5-chlorothiophen-2-yl)methyl]-2-(3-hydroxypyrrolidin-1-yl)-N-methylacetamide.
What is the SMILES notation for N-[(5-chlorothiophen-2-yl)methyl]-2-(3-hydroxypyrrolidin-1-yl)-N-methylacetamide?
The canonical SMILES for N-[(5-chlorothiophen-2-yl)methyl]-2-(3-hydroxypyrrolidin-1-yl)-N-methylacetamide is CN(Cc1ccc(Cl)s1)C(=O)CN1CCC(O)C1.
What is the InChIKey of N-[(5-chlorothiophen-2-yl)methyl]-2-(3-hydroxypyrrolidin-1-yl)-N-methylacetamide?
The InChIKey is QTZUOHQHYPGEJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O2S/c1-14(7-10-2-3-11(13)18-10)12(17)8-15-5-4-9(16)6-15/h2-3,9,16H,4-8H2,1H3.
What are the key properties of N-[(5-chlorothiophen-2-yl)methyl]-2-(3-hydroxypyrrolidin-1-yl)-N-methylacetamide?
N-[(5-chlorothiophen-2-yl)methyl]-2-(3-hydroxypyrrolidin-1-yl)-N-methylacetamide has a molecular weight of 288.80 g/mol, XLogP of 1.43, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chlorothiophen-2-yl)methyl]-2-(3-hydroxypyrrolidin-1-yl)-N-methylacetamide is sourced from PubChem (CID 62918194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).