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

C15H23ClN2O2S — CID 62467093

IUPACN-[(5-chlorothiophen-2-yl)methyl]-2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-N-methylacetamide
SMILESCN(Cc1ccc(Cl)s1)C(=O)CN1CCCC1CCCO
InChIInChI=1S/C15H23ClN2O2S/c1-17(10-13-6-7-14(16)21-13)15(20)11-18-8-2-4-12(18)5-3-9-19/h6-7,12,19H,2-5,8-11H2,1H3
InChIKeyRXMZDOBBIRRMTM-UHFFFAOYSA-N
MW330.88 g/mol
LogP2.60
Rot. Bonds7

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

N-[(5-chlorothiophen-2-yl)methyl]-2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-N-methylacetamide (PubChem CID 62467093) has the molecular formula C15H23ClN2O2S and a molecular weight of 330.88 g/mol. Its IUPAC name is N-[(5-chlorothiophen-2-yl)methyl]-2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-N-methylacetamide.

Molecular Properties

Compound NameN-[(5-chlorothiophen-2-yl)methyl]-2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-N-methylacetamide
PubChem CID62467093
Molecular FormulaC15H23ClN2O2S
Molecular Weight330.88 g/mol
Exact Mass330.12
IUPAC NameN-[(5-chlorothiophen-2-yl)methyl]-2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-N-methylacetamide
SMILESCN(Cc1ccc(Cl)s1)C(=O)CN1CCCC1CCCO
InChIInChI=1S/C15H23ClN2O2S/c1-17(10-13-6-7-14(16)21-13)15(20)11-18-8-2-4-12(18)5-3-9-19/h6-7,12,19H,2-5,8-11H2,1H3
InChIKeyRXMZDOBBIRRMTM-UHFFFAOYSA-N
XLogP2.60
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.88
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-N-methyl-N-(thiophen-2-ylmethyl)acetamide
CID 62467825
N-[(2-fluorophenyl)methyl]-2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-N-methylacetamide
CID 110918997
2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-N-methyl-N-phenylacetamide
CID 62467967
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-(3-hydroxypyrrolidin-1-yl)-N-methylacetamide
CID 62918194
N-[(5-chlorothiophen-2-yl)methyl]-5-hydroxy-N-methylpentanamide
CID 79198622
2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-N-methyl-N-[2-oxo-2-(propylamino)ethyl]acetamide
CID 62466919
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
N-(3-amino-3-sulfanylidenepropyl)-2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-N-methylacetamide
CID 62469340
N-[(5-chlorothiophen-2-yl)methyl]-2-[2-(hydroxymethyl)morpholin-4-yl]-N-methylacetamide
CID 79832873
N-(cyclopenten-1-yl)-2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-N-methylacetamide
CID 55076318
4-[[2-(3-hydroxypropyl)pyrrolidin-1-yl]methyl]-N,N-dimethylbenzamide
CID 111434906

Frequently Asked Questions

What is the IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-N-methylacetamide?
The IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-N-methylacetamide (CID 62467093) is N-[(5-chlorothiophen-2-yl)methyl]-2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-N-methylacetamide.
What is the SMILES notation for N-[(5-chlorothiophen-2-yl)methyl]-2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-N-methylacetamide?
The canonical SMILES for N-[(5-chlorothiophen-2-yl)methyl]-2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-N-methylacetamide is CN(Cc1ccc(Cl)s1)C(=O)CN1CCCC1CCCO.
What is the InChIKey of N-[(5-chlorothiophen-2-yl)methyl]-2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-N-methylacetamide?
The InChIKey is RXMZDOBBIRRMTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O2S/c1-17(10-13-6-7-14(16)21-13)15(20)11-18-8-2-4-12(18)5-3-9-19/h6-7,12,19H,2-5,8-11H2,1H3.
What are the key properties of N-[(5-chlorothiophen-2-yl)methyl]-2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-N-methylacetamide?
N-[(5-chlorothiophen-2-yl)methyl]-2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-N-methylacetamide has a molecular weight of 330.88 g/mol, XLogP of 2.60, 7 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-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-N-methylacetamide is sourced from PubChem (CID 62467093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).