N-[1-(2-amino-1-thiophen-3-ylpropyl)pyrrolidin-3-yl]acetamide

C13H21N3OS — CID 113402114

IUPACN-[1-(2-amino-1-thiophen-3-ylpropyl)pyrrolidin-3-yl]acetamide
SMILESCC(=O)NC1CCN(C(c2ccsc2)C(C)N)C1
InChIInChI=1S/C13H21N3OS/c1-9(14)13(11-4-6-18-8-11)16-5-3-12(7-16)15-10(2)17/h4,6,8-9,12-13H,3,5,7,14H2,1-2H3,(H,15,17)
InChIKeyLGKNVLBILMPFRW-UHFFFAOYSA-N
MW267.40 g/mol
LogP1.35
Rot. Bonds4

About N-[1-(2-amino-1-thiophen-3-ylpropyl)pyrrolidin-3-yl]acetamide

N-[1-(2-amino-1-thiophen-3-ylpropyl)pyrrolidin-3-yl]acetamide (PubChem CID 113402114) has the molecular formula C13H21N3OS and a molecular weight of 267.40 g/mol. Its IUPAC name is N-[1-(2-amino-1-thiophen-3-ylpropyl)pyrrolidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[1-(2-amino-1-thiophen-3-ylpropyl)pyrrolidin-3-yl]acetamide
PubChem CID113402114
Molecular FormulaC13H21N3OS
Molecular Weight267.40 g/mol
Exact Mass267.14
IUPAC NameN-[1-(2-amino-1-thiophen-3-ylpropyl)pyrrolidin-3-yl]acetamide
SMILESCC(=O)NC1CCN(C(c2ccsc2)C(C)N)C1
InChIInChI=1S/C13H21N3OS/c1-9(14)13(11-4-6-18-8-11)16-5-3-12(7-16)15-10(2)17/h4,6,8-9,12-13H,3,5,7,14H2,1-2H3,(H,15,17)
InChIKeyLGKNVLBILMPFRW-UHFFFAOYSA-N
XLogP1.35
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.40
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-amino-1-thiophen-3-ylpropyl)pyrrolidin-3-yl]acetamide?
The IUPAC name of N-[1-(2-amino-1-thiophen-3-ylpropyl)pyrrolidin-3-yl]acetamide (CID 113402114) is N-[1-(2-amino-1-thiophen-3-ylpropyl)pyrrolidin-3-yl]acetamide.
What is the SMILES notation for N-[1-(2-amino-1-thiophen-3-ylpropyl)pyrrolidin-3-yl]acetamide?
The canonical SMILES for N-[1-(2-amino-1-thiophen-3-ylpropyl)pyrrolidin-3-yl]acetamide is CC(=O)NC1CCN(C(c2ccsc2)C(C)N)C1.
What is the InChIKey of N-[1-(2-amino-1-thiophen-3-ylpropyl)pyrrolidin-3-yl]acetamide?
The InChIKey is LGKNVLBILMPFRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3OS/c1-9(14)13(11-4-6-18-8-11)16-5-3-12(7-16)15-10(2)17/h4,6,8-9,12-13H,3,5,7,14H2,1-2H3,(H,15,17).
What are the key properties of N-[1-(2-amino-1-thiophen-3-ylpropyl)pyrrolidin-3-yl]acetamide?
N-[1-(2-amino-1-thiophen-3-ylpropyl)pyrrolidin-3-yl]acetamide has a molecular weight of 267.40 g/mol, XLogP of 1.35, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-amino-1-thiophen-3-ylpropyl)pyrrolidin-3-yl]acetamide is sourced from PubChem (CID 113402114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).