2-pyrrolidin-2-yl-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)acetamide;dihydrochloride

C16H27Cl2N3OS — CID 119831525

IUPAC2-pyrrolidin-2-yl-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)acetamide;dihydrochloride
SMILESCl.Cl.O=C(CC1CCCN1)NCC(c1cccs1)N1CCCC1
InChIInChI=1S/C16H25N3OS.2ClH/c20-16(11-13-5-3-7-17-13)18-12-14(15-6-4-10-21-15)19-8-1-2-9-19;;/h4,6,10,13-14,17H,1-3,5,7-9,11-12H2,(H,18,20);2*1H
InChIKeyZUWGTGIUZXLZCR-UHFFFAOYSA-N
MW380.39 g/mol
LogP2.99
Rot. Bonds6

About 2-pyrrolidin-2-yl-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)acetamide;dihydrochloride

2-pyrrolidin-2-yl-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)acetamide;dihydrochloride (PubChem CID 119831525) has the molecular formula C16H27Cl2N3OS and a molecular weight of 380.39 g/mol. Its IUPAC name is 2-pyrrolidin-2-yl-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)acetamide;dihydrochloride.

Molecular Properties

Compound Name2-pyrrolidin-2-yl-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)acetamide;dihydrochloride
PubChem CID119831525
Molecular FormulaC16H27Cl2N3OS
Molecular Weight380.39 g/mol
Exact Mass379.13
IUPAC Name2-pyrrolidin-2-yl-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)acetamide;dihydrochloride
SMILESCl.Cl.O=C(CC1CCCN1)NCC(c1cccs1)N1CCCC1
InChIInChI=1S/C16H25N3OS.2ClH/c20-16(11-13-5-3-7-17-13)18-12-14(15-6-4-10-21-15)19-8-1-2-9-19;;/h4,6,10,13-14,17H,1-3,5,7-9,11-12H2,(H,18,20);2*1H
InChIKeyZUWGTGIUZXLZCR-UHFFFAOYSA-N
XLogP2.99
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.39
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-phenyl-2-pyrrolidin-1-ylethyl)-2-pyrrolidin-2-ylacetamide;dihydrochloride
CID 119831446
N-[2-(azepan-1-yl)-2-thiophen-2-ylethyl]propanamide;hydrochloride
CID 52984652
2-pyrrolidin-2-yl-N-(1-thiophen-2-ylethyl)acetamide;hydrochloride
CID 119687090
2-methylsulfanyl-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)acetamide
CID 134057480
2-(4-fluorophenyl)-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)acetamide
CID 51186575
2-phenyl-N-(2-piperidin-1-yl-2-thiophen-2-ylethyl)acetamide
CID 15145540
2-(4-hydroxyphenyl)-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)acetamide
CID 78822033
N-[2-(azepan-1-yl)-2-thiophen-2-ylethyl]-2-(4-chlorophenyl)acetamide;hydrochloride
CID 52984654
N-[2-(azepan-1-yl)-2-thiophen-2-ylethyl]adamantane-1-carboxamide
CID 17012416
2,2-dimethyl-N-[2-oxo-2-[(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)amino]ethyl]propanamide
CID 134057464
3-(carbamoylamino)-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)-3-thiophen-2-ylpropanamide
CID 134057478
N-[2-(azepan-1-yl)-2-thiophen-2-ylethyl]-4-fluorobenzamide;hydrochloride
CID 52984653

Frequently Asked Questions

What is the IUPAC name of 2-pyrrolidin-2-yl-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)acetamide;dihydrochloride?
The IUPAC name of 2-pyrrolidin-2-yl-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)acetamide;dihydrochloride (CID 119831525) is 2-pyrrolidin-2-yl-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)acetamide;dihydrochloride.
What is the SMILES notation for 2-pyrrolidin-2-yl-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)acetamide;dihydrochloride?
The canonical SMILES for 2-pyrrolidin-2-yl-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)acetamide;dihydrochloride is Cl.Cl.O=C(CC1CCCN1)NCC(c1cccs1)N1CCCC1.
What is the InChIKey of 2-pyrrolidin-2-yl-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)acetamide;dihydrochloride?
The InChIKey is ZUWGTGIUZXLZCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3OS.2ClH/c20-16(11-13-5-3-7-17-13)18-12-14(15-6-4-10-21-15)19-8-1-2-9-19;;/h4,6,10,13-14,17H,1-3,5,7-9,11-12H2,(H,18,20);2*1H.
What are the key properties of 2-pyrrolidin-2-yl-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)acetamide;dihydrochloride?
2-pyrrolidin-2-yl-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)acetamide;dihydrochloride has a molecular weight of 380.39 g/mol, XLogP of 2.99, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrrolidin-2-yl-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)acetamide;dihydrochloride is sourced from PubChem (CID 119831525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).