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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Related Compounds

1-(3-methoxypyrrolidin-1-yl)-1-thiophen-3-ylpropan-2-amine
CID 103530823
1-thiophen-3-yl-1-[3-(trifluoromethyl)pyrrolidin-1-yl]propan-2-amine
CID 114271769
N-[1-[1-(2,6-dihydroxyphenyl)ethyl]pyrrolidin-3-yl]acetamide
CID 107712044
N-[1-[1-(3-aminophenyl)ethyl]pyrrolidin-3-yl]acetamide
CID 113402120
(2R)-2-[(3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidin-1-yl]-2-thiophen-3-ylacetic acid
CID 124928954
N-[1-[1-(4-chlorophenyl)ethyl]piperidin-4-yl]acetamide
CID 49437832
1-(1-thiophen-3-ylethyl)piperidin-4-amine
CID 62089674
(2R)-N-[(6R)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]-2-thiophen-3-ylpropanamide
CID 95773682
(2R)-N-[(6S)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]-2-thiophen-3-ylpropanamide
CID 95773681
4-(2-amino-1-thiophen-3-ylpropyl)morpholine-3-carboxamide
CID 83101539
1-[(3R)-3-aminopyrrolidin-1-yl]-2-thiophen-3-ylpropan-1-one
CID 119410172
1-[(3R)-1-(cyclopentanecarbonyl)pyrrolidin-3-yl]-3-[(2R)-2-thiophen-3-ylpropyl]urea
CID 97019953

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).