N-[(3S,5S)-5-(hydroxymethyl)-1-[(5-methylthiophen-2-yl)methyl]pyrrolidin-3-yl]-2-methoxyacetamide

C14H22N2O3S — CID 71687101

IUPACN-[(3S,5S)-5-(hydroxymethyl)-1-[(5-methylthiophen-2-yl)methyl]pyrrolidin-3-yl]-2-methoxyacetamide
SMILESCOCC(=O)N[C@H]1C[C@@H](CO)N(Cc2ccc(C)s2)C1
InChIInChI=1S/C14H22N2O3S/c1-10-3-4-13(20-10)7-16-6-11(5-12(16)8-17)15-14(18)9-19-2/h3-4,11-12,17H,5-9H2,1-2H3,(H,15,18)/t11-,12-/m0/s1
InChIKeyRLHCYJATCQNCMM-RYUDHWBXSA-N
MW298.41 g/mol
LogP0.75
Rot. Bonds6

About N-[(3S,5S)-5-(hydroxymethyl)-1-[(5-methylthiophen-2-yl)methyl]pyrrolidin-3-yl]-2-methoxyacetamide

N-[(3S,5S)-5-(hydroxymethyl)-1-[(5-methylthiophen-2-yl)methyl]pyrrolidin-3-yl]-2-methoxyacetamide (PubChem CID 71687101) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is N-[(3S,5S)-5-(hydroxymethyl)-1-[(5-methylthiophen-2-yl)methyl]pyrrolidin-3-yl]-2-methoxyacetamide.

Molecular Properties

Compound NameN-[(3S,5S)-5-(hydroxymethyl)-1-[(5-methylthiophen-2-yl)methyl]pyrrolidin-3-yl]-2-methoxyacetamide
PubChem CID71687101
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC NameN-[(3S,5S)-5-(hydroxymethyl)-1-[(5-methylthiophen-2-yl)methyl]pyrrolidin-3-yl]-2-methoxyacetamide
SMILESCOCC(=O)N[C@H]1C[C@@H](CO)N(Cc2ccc(C)s2)C1
InChIInChI=1S/C14H22N2O3S/c1-10-3-4-13(20-10)7-16-6-11(5-12(16)8-17)15-14(18)9-19-2/h3-4,11-12,17H,5-9H2,1-2H3,(H,15,18)/t11-,12-/m0/s1
InChIKeyRLHCYJATCQNCMM-RYUDHWBXSA-N
XLogP0.75
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(3S,5S)-5-(hydroxymethyl)-1-[(5-methylthiophen-2-yl)methyl]pyrrolidin-3-yl]-2-methoxyacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(3S,5S)-5-(hydroxymethyl)-1-[(5-methylthiophen-2-yl)methyl]pyrrolidin-3-yl]-2-methoxyacetamide?
The IUPAC name of N-[(3S,5S)-5-(hydroxymethyl)-1-[(5-methylthiophen-2-yl)methyl]pyrrolidin-3-yl]-2-methoxyacetamide (CID 71687101) is N-[(3S,5S)-5-(hydroxymethyl)-1-[(5-methylthiophen-2-yl)methyl]pyrrolidin-3-yl]-2-methoxyacetamide.
What is the SMILES notation for N-[(3S,5S)-5-(hydroxymethyl)-1-[(5-methylthiophen-2-yl)methyl]pyrrolidin-3-yl]-2-methoxyacetamide?
The canonical SMILES for N-[(3S,5S)-5-(hydroxymethyl)-1-[(5-methylthiophen-2-yl)methyl]pyrrolidin-3-yl]-2-methoxyacetamide is COCC(=O)N[C@H]1C[C@@H](CO)N(Cc2ccc(C)s2)C1.
What is the InChIKey of N-[(3S,5S)-5-(hydroxymethyl)-1-[(5-methylthiophen-2-yl)methyl]pyrrolidin-3-yl]-2-methoxyacetamide?
The InChIKey is RLHCYJATCQNCMM-RYUDHWBXSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-10-3-4-13(20-10)7-16-6-11(5-12(16)8-17)15-14(18)9-19-2/h3-4,11-12,17H,5-9H2,1-2H3,(H,15,18)/t11-,12-/m0/s1.
What are the key properties of N-[(3S,5S)-5-(hydroxymethyl)-1-[(5-methylthiophen-2-yl)methyl]pyrrolidin-3-yl]-2-methoxyacetamide?
N-[(3S,5S)-5-(hydroxymethyl)-1-[(5-methylthiophen-2-yl)methyl]pyrrolidin-3-yl]-2-methoxyacetamide has a molecular weight of 298.41 g/mol, XLogP of 0.75, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,5S)-5-(hydroxymethyl)-1-[(5-methylthiophen-2-yl)methyl]pyrrolidin-3-yl]-2-methoxyacetamide is sourced from PubChem (CID 71687101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).