2-(3-amino-4-methylpyrrolidin-1-yl)-N-[(5-chlorothiophen-2-yl)methyl]-N-methylacetamide

C13H20ClN3OS — CID 103577273

IUPAC2-(3-amino-4-methylpyrrolidin-1-yl)-N-[(5-chlorothiophen-2-yl)methyl]-N-methylacetamide
SMILESCC1CN(CC(=O)N(C)Cc2ccc(Cl)s2)CC1N
InChIInChI=1S/C13H20ClN3OS/c1-9-5-17(7-11(9)15)8-13(18)16(2)6-10-3-4-12(14)19-10/h3-4,9,11H,5-8,15H2,1-2H3
InChIKeyHYGQEGAOPPYVOH-UHFFFAOYSA-N
MW301.84 g/mol
LogP1.64
Rot. Bonds4

About 2-(3-amino-4-methylpyrrolidin-1-yl)-N-[(5-chlorothiophen-2-yl)methyl]-N-methylacetamide

2-(3-amino-4-methylpyrrolidin-1-yl)-N-[(5-chlorothiophen-2-yl)methyl]-N-methylacetamide (PubChem CID 103577273) has the molecular formula C13H20ClN3OS and a molecular weight of 301.84 g/mol. Its IUPAC name is 2-(3-amino-4-methylpyrrolidin-1-yl)-N-[(5-chlorothiophen-2-yl)methyl]-N-methylacetamide.

Molecular Properties

Compound Name2-(3-amino-4-methylpyrrolidin-1-yl)-N-[(5-chlorothiophen-2-yl)methyl]-N-methylacetamide
PubChem CID103577273
Molecular FormulaC13H20ClN3OS
Molecular Weight301.84 g/mol
Exact Mass301.10
IUPAC Name2-(3-amino-4-methylpyrrolidin-1-yl)-N-[(5-chlorothiophen-2-yl)methyl]-N-methylacetamide
SMILESCC1CN(CC(=O)N(C)Cc2ccc(Cl)s2)CC1N
InChIInChI=1S/C13H20ClN3OS/c1-9-5-17(7-11(9)15)8-13(18)16(2)6-10-3-4-12(14)19-10/h3-4,9,11H,5-8,15H2,1-2H3
InChIKeyHYGQEGAOPPYVOH-UHFFFAOYSA-N
XLogP1.64
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.84
LogP ≤ 51.64
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-(3-hydroxypyrrolidin-1-yl)-N-methylacetamide
CID 62918194
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-[4-[2-[(5-chlorothiophen-2-yl)methyl-methylamino]-2-oxoethyl]piperazin-1-yl]-N-propylacetamide
CID 30957750
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
N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-3-oxobutanamide
CID 60951660
cis-(1S,2R)-2-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-methylcyclopentane-1-carboxamide
CID 97033065
N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-(1,2,4-triazol-1-yl)acetamide
CID 78792569
2-(carbamoylamino)-N-[(5-chlorothiophen-2-yl)methyl]-N-methylacetamide
CID 167865036
[2-[(5-chlorothiophen-2-yl)methyl-methylamino]-2-oxoethyl] 2-nitrocyclopropane-1-carboxylate
CID 55999835

Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-4-methylpyrrolidin-1-yl)-N-[(5-chlorothiophen-2-yl)methyl]-N-methylacetamide?
The IUPAC name of 2-(3-amino-4-methylpyrrolidin-1-yl)-N-[(5-chlorothiophen-2-yl)methyl]-N-methylacetamide (CID 103577273) is 2-(3-amino-4-methylpyrrolidin-1-yl)-N-[(5-chlorothiophen-2-yl)methyl]-N-methylacetamide.
What is the SMILES notation for 2-(3-amino-4-methylpyrrolidin-1-yl)-N-[(5-chlorothiophen-2-yl)methyl]-N-methylacetamide?
The canonical SMILES for 2-(3-amino-4-methylpyrrolidin-1-yl)-N-[(5-chlorothiophen-2-yl)methyl]-N-methylacetamide is CC1CN(CC(=O)N(C)Cc2ccc(Cl)s2)CC1N.
What is the InChIKey of 2-(3-amino-4-methylpyrrolidin-1-yl)-N-[(5-chlorothiophen-2-yl)methyl]-N-methylacetamide?
The InChIKey is HYGQEGAOPPYVOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN3OS/c1-9-5-17(7-11(9)15)8-13(18)16(2)6-10-3-4-12(14)19-10/h3-4,9,11H,5-8,15H2,1-2H3.
What are the key properties of 2-(3-amino-4-methylpyrrolidin-1-yl)-N-[(5-chlorothiophen-2-yl)methyl]-N-methylacetamide?
2-(3-amino-4-methylpyrrolidin-1-yl)-N-[(5-chlorothiophen-2-yl)methyl]-N-methylacetamide has a molecular weight of 301.84 g/mol, XLogP of 1.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-4-methylpyrrolidin-1-yl)-N-[(5-chlorothiophen-2-yl)methyl]-N-methylacetamide is sourced from PubChem (CID 103577273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).