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

C17H29Cl2N3O2S — CID 119880763

IUPAC1-amino-N-methyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)cyclopentane-1-carboxamide;dihydrochloride
SMILESCN(CC(c1cccs1)N1CCOCC1)C(=O)C1(N)CCCC1.Cl.Cl
InChIInChI=1S/C17H27N3O2S.2ClH/c1-19(16(21)17(18)6-2-3-7-17)13-14(15-5-4-12-23-15)20-8-10-22-11-9-20;;/h4-5,12,14H,2-3,6-11,13,18H2,1H3;2*1H
InChIKeyYHWHJLLDWDUMMD-UHFFFAOYSA-N
MW410.41 g/mol
LogP2.69
Rot. Bonds5

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

1-amino-N-methyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)cyclopentane-1-carboxamide;dihydrochloride (PubChem CID 119880763) has the molecular formula C17H29Cl2N3O2S and a molecular weight of 410.41 g/mol. Its IUPAC name is 1-amino-N-methyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)cyclopentane-1-carboxamide;dihydrochloride.

Molecular Properties

Compound Name1-amino-N-methyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)cyclopentane-1-carboxamide;dihydrochloride
PubChem CID119880763
Molecular FormulaC17H29Cl2N3O2S
Molecular Weight410.41 g/mol
Exact Mass409.14
IUPAC Name1-amino-N-methyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)cyclopentane-1-carboxamide;dihydrochloride
SMILESCN(CC(c1cccs1)N1CCOCC1)C(=O)C1(N)CCCC1.Cl.Cl
InChIInChI=1S/C17H27N3O2S.2ClH/c1-19(16(21)17(18)6-2-3-7-17)13-14(15-5-4-12-23-15)20-8-10-22-11-9-20;;/h4-5,12,14H,2-3,6-11,13,18H2,1H3;2*1H
InChIKeyYHWHJLLDWDUMMD-UHFFFAOYSA-N
XLogP2.69
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 ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-N-methyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)acetamide;dihydrochloride
CID 119880785
N-methyl-4-(methylamino)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)butanamide;dihydrochloride
CID 119880751
3-amino-N-methyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)cyclopentane-1-carboxamide;dihydrochloride
CID 119880755
1-amino-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)cyclopropane-1-carboxamide
CID 65464082
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
N-methyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-2-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 71863736
4-amino-N-methyl-N-(2-thiophen-2-ylethyl)oxane-4-carboxamide
CID 113280867
2-amino-4-morpholin-4-yl-4-thiophen-2-ylbutanoic acid
CID 121209627
(2S)-N-methyl-2-morpholin-4-yl-N-(oxan-4-ylmethyl)-2-thiophen-2-ylethanamine
CID 95767529
N-methyl-N-[(2R)-2-morpholin-4-yl-2-thiophen-2-ylethyl]but-2-yn-1-amine
CID 97318047

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-methyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)cyclopentane-1-carboxamide;dihydrochloride?
The IUPAC name of 1-amino-N-methyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)cyclopentane-1-carboxamide;dihydrochloride (CID 119880763) is 1-amino-N-methyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)cyclopentane-1-carboxamide;dihydrochloride.
What is the SMILES notation for 1-amino-N-methyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)cyclopentane-1-carboxamide;dihydrochloride?
The canonical SMILES for 1-amino-N-methyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)cyclopentane-1-carboxamide;dihydrochloride is CN(CC(c1cccs1)N1CCOCC1)C(=O)C1(N)CCCC1.Cl.Cl.
What is the InChIKey of 1-amino-N-methyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)cyclopentane-1-carboxamide;dihydrochloride?
The InChIKey is YHWHJLLDWDUMMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O2S.2ClH/c1-19(16(21)17(18)6-2-3-7-17)13-14(15-5-4-12-23-15)20-8-10-22-11-9-20;;/h4-5,12,14H,2-3,6-11,13,18H2,1H3;2*1H.
What are the key properties of 1-amino-N-methyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)cyclopentane-1-carboxamide;dihydrochloride?
1-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 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-methyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)cyclopentane-1-carboxamide;dihydrochloride is sourced from PubChem (CID 119880763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).