3-amino-N-methyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)cyclopentane-1-carboxamide;dihydrochloride

C17H29Cl2N3O2S — CID 119880755

IUPAC3-amino-N-methyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)cyclopentane-1-carboxamide;dihydrochloride
SMILESCN(CC(c1cccs1)N1CCOCC1)C(=O)C1CCC(N)C1.Cl.Cl
InChIInChI=1S/C17H27N3O2S.2ClH/c1-19(17(21)13-4-5-14(18)11-13)12-15(16-3-2-10-23-16)20-6-8-22-9-7-20;;/h2-3,10,13-15H,4-9,11-12,18H2,1H3;2*1H
InChIKeyONMCKFRAQCDWRF-UHFFFAOYSA-N
MW410.41 g/mol
LogP2.55
Rot. Bonds5

About 3-amino-N-methyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)cyclopentane-1-carboxamide;dihydrochloride

3-amino-N-methyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)cyclopentane-1-carboxamide;dihydrochloride (PubChem CID 119880755) has the molecular formula C17H29Cl2N3O2S and a molecular weight of 410.41 g/mol. Its IUPAC name is 3-amino-N-methyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)cyclopentane-1-carboxamide;dihydrochloride.

Molecular Properties

Compound Name3-amino-N-methyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)cyclopentane-1-carboxamide;dihydrochloride
PubChem CID119880755
Molecular FormulaC17H29Cl2N3O2S
Molecular Weight410.41 g/mol
Exact Mass409.14
IUPAC Name3-amino-N-methyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)cyclopentane-1-carboxamide;dihydrochloride
SMILESCN(CC(c1cccs1)N1CCOCC1)C(=O)C1CCC(N)C1.Cl.Cl
InChIInChI=1S/C17H27N3O2S.2ClH/c1-19(17(21)13-4-5-14(18)11-13)12-15(16-3-2-10-23-16)20-6-8-22-9-7-20;;/h2-3,10,13-15H,4-9,11-12,18H2,1H3;2*1H
InChIKeyONMCKFRAQCDWRF-UHFFFAOYSA-N
XLogP2.55
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.41
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-amino-N-methyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)cyclopentane-1-carboxamide;dihydrochloride with MolForge

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Related Compounds

2-amino-N-methyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)acetamide;dihydrochloride
CID 119880785
1-amino-N-methyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)cyclopentane-1-carboxamide;dihydrochloride
CID 119880763
3-amino-N-methyl-N-(2-thiophen-2-ylethyl)cyclopentane-1-carboxamide;hydrochloride
CID 119807064
N-methyl-4-(methylamino)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)butanamide;dihydrochloride
CID 119880751
(2S)-N-methyl-2-morpholin-4-yl-N-(oxan-4-ylmethyl)-2-thiophen-2-ylethanamine
CID 95767529
2-(aminomethyl)-N-methyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-1,3-thiazole-4-carboxamide
CID 119880788
(2R)-1-[methyl-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]amino]-3-methylsulfanylpropan-2-ol
CID 99787684
3-amino-2-methyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)butanamide;dihydrochloride
CID 120502460
4-amino-N-methyl-N-(thiophen-2-ylmethyl)cyclohexane-1-carboxamide
CID 54928756
N-methyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-2-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 71863736
3-amino-N-(2-hydroxypropyl)-N-methylcyclopentane-1-carboxamide
CID 66007556
2-amino-4-morpholin-4-yl-4-thiophen-2-ylbutanoic acid
CID 121209627

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-methyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)cyclopentane-1-carboxamide;dihydrochloride?
The IUPAC name of 3-amino-N-methyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)cyclopentane-1-carboxamide;dihydrochloride (CID 119880755) is 3-amino-N-methyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)cyclopentane-1-carboxamide;dihydrochloride.
What is the SMILES notation for 3-amino-N-methyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)cyclopentane-1-carboxamide;dihydrochloride?
The canonical SMILES for 3-amino-N-methyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)cyclopentane-1-carboxamide;dihydrochloride is CN(CC(c1cccs1)N1CCOCC1)C(=O)C1CCC(N)C1.Cl.Cl.
What is the InChIKey of 3-amino-N-methyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)cyclopentane-1-carboxamide;dihydrochloride?
The InChIKey is ONMCKFRAQCDWRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O2S.2ClH/c1-19(17(21)13-4-5-14(18)11-13)12-15(16-3-2-10-23-16)20-6-8-22-9-7-20;;/h2-3,10,13-15H,4-9,11-12,18H2,1H3;2*1H.
What are the key properties of 3-amino-N-methyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)cyclopentane-1-carboxamide;dihydrochloride?
3-amino-N-methyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)cyclopentane-1-carboxamide;dihydrochloride has a molecular weight of 410.41 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-methyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)cyclopentane-1-carboxamide;dihydrochloride is sourced from PubChem (CID 119880755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).