N-[(3S,4R)-1-[(5-acetylthiophen-3-yl)methyl]-4-propylpyrrolidin-3-yl]acetamide

C16H24N2O2S — CID 70746062

IUPACN-[(3S,4R)-1-[(5-acetylthiophen-3-yl)methyl]-4-propylpyrrolidin-3-yl]acetamide
SMILESCCC[C@@H]1CN(Cc2csc(C(C)=O)c2)C[C@H]1NC(C)=O
InChIInChI=1S/C16H24N2O2S/c1-4-5-14-8-18(9-15(14)17-12(3)20)7-13-6-16(11(2)19)21-10-13/h6,10,14-15H,4-5,7-9H2,1-3H3,(H,17,20)/t14-,15-/m1/s1
InChIKeyUUJMECGGQSSIRT-HUUCEWRRSA-N
MW308.45 g/mol
LogP2.69
Rot. Bonds6

About N-[(3S,4R)-1-[(5-acetylthiophen-3-yl)methyl]-4-propylpyrrolidin-3-yl]acetamide

N-[(3S,4R)-1-[(5-acetylthiophen-3-yl)methyl]-4-propylpyrrolidin-3-yl]acetamide (PubChem CID 70746062) has the molecular formula C16H24N2O2S and a molecular weight of 308.45 g/mol. Its IUPAC name is N-[(3S,4R)-1-[(5-acetylthiophen-3-yl)methyl]-4-propylpyrrolidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[(3S,4R)-1-[(5-acetylthiophen-3-yl)methyl]-4-propylpyrrolidin-3-yl]acetamide
PubChem CID70746062
Molecular FormulaC16H24N2O2S
Molecular Weight308.45 g/mol
Exact Mass308.16
IUPAC NameN-[(3S,4R)-1-[(5-acetylthiophen-3-yl)methyl]-4-propylpyrrolidin-3-yl]acetamide
SMILESCCC[C@@H]1CN(Cc2csc(C(C)=O)c2)C[C@H]1NC(C)=O
InChIInChI=1S/C16H24N2O2S/c1-4-5-14-8-18(9-15(14)17-12(3)20)7-13-6-16(11(2)19)21-10-13/h6,10,14-15H,4-5,7-9H2,1-3H3,(H,17,20)/t14-,15-/m1/s1
InChIKeyUUJMECGGQSSIRT-HUUCEWRRSA-N
XLogP2.69
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.45
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3S,4R)-1-[(5-acetylthiophen-3-yl)methyl]-4-propylpyrrolidin-3-yl]acetamide?
The IUPAC name of N-[(3S,4R)-1-[(5-acetylthiophen-3-yl)methyl]-4-propylpyrrolidin-3-yl]acetamide (CID 70746062) is N-[(3S,4R)-1-[(5-acetylthiophen-3-yl)methyl]-4-propylpyrrolidin-3-yl]acetamide.
What is the SMILES notation for N-[(3S,4R)-1-[(5-acetylthiophen-3-yl)methyl]-4-propylpyrrolidin-3-yl]acetamide?
The canonical SMILES for N-[(3S,4R)-1-[(5-acetylthiophen-3-yl)methyl]-4-propylpyrrolidin-3-yl]acetamide is CCC[C@@H]1CN(Cc2csc(C(C)=O)c2)C[C@H]1NC(C)=O.
What is the InChIKey of N-[(3S,4R)-1-[(5-acetylthiophen-3-yl)methyl]-4-propylpyrrolidin-3-yl]acetamide?
The InChIKey is UUJMECGGQSSIRT-HUUCEWRRSA-N. The full InChI is InChI=1S/C16H24N2O2S/c1-4-5-14-8-18(9-15(14)17-12(3)20)7-13-6-16(11(2)19)21-10-13/h6,10,14-15H,4-5,7-9H2,1-3H3,(H,17,20)/t14-,15-/m1/s1.
What are the key properties of N-[(3S,4R)-1-[(5-acetylthiophen-3-yl)methyl]-4-propylpyrrolidin-3-yl]acetamide?
N-[(3S,4R)-1-[(5-acetylthiophen-3-yl)methyl]-4-propylpyrrolidin-3-yl]acetamide has a molecular weight of 308.45 g/mol, XLogP of 2.69, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4R)-1-[(5-acetylthiophen-3-yl)methyl]-4-propylpyrrolidin-3-yl]acetamide is sourced from PubChem (CID 70746062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).