N-[[4-(4-methoxyphenyl)thiophen-2-yl]methyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride

C21H29ClN2O2S — CID 120915106

IUPACN-[[4-(4-methoxyphenyl)thiophen-2-yl]methyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride
SMILESCOc1ccc(-c2csc(CNC3CCCC3C3COCCN3)c2)cc1.Cl
InChIInChI=1S/C21H28N2O2S.ClH/c1-24-17-7-5-15(6-8-17)16-11-18(26-14-16)12-23-20-4-2-3-19(20)21-13-25-10-9-22-21;/h5-8,11,14,19-23H,2-4,9-10,12-13H2,1H3;1H
InChIKeyWSDGAMZYEHXUAP-UHFFFAOYSA-N
MW409.00 g/mol
LogP4.09
Rot. Bonds6

About N-[[4-(4-methoxyphenyl)thiophen-2-yl]methyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride

N-[[4-(4-methoxyphenyl)thiophen-2-yl]methyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride (PubChem CID 120915106) has the molecular formula C21H29ClN2O2S and a molecular weight of 409.00 g/mol. Its IUPAC name is N-[[4-(4-methoxyphenyl)thiophen-2-yl]methyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride.

Molecular Properties

Compound NameN-[[4-(4-methoxyphenyl)thiophen-2-yl]methyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride
PubChem CID120915106
Molecular FormulaC21H29ClN2O2S
Molecular Weight409.00 g/mol
Exact Mass408.16
IUPAC NameN-[[4-(4-methoxyphenyl)thiophen-2-yl]methyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride
SMILESCOc1ccc(-c2csc(CNC3CCCC3C3COCCN3)c2)cc1.Cl
InChIInChI=1S/C21H28N2O2S.ClH/c1-24-17-7-5-15(6-8-17)16-11-18(26-14-16)12-23-20-4-2-3-19(20)21-13-25-10-9-22-21;/h5-8,11,14,19-23H,2-4,9-10,12-13H2,1H3;1H
InChIKeyWSDGAMZYEHXUAP-UHFFFAOYSA-N
XLogP4.09
TPSA42.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.00
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(4-methoxyphenyl)thiophen-2-yl]methyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride?
The IUPAC name of N-[[4-(4-methoxyphenyl)thiophen-2-yl]methyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride (CID 120915106) is N-[[4-(4-methoxyphenyl)thiophen-2-yl]methyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride.
What is the SMILES notation for N-[[4-(4-methoxyphenyl)thiophen-2-yl]methyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride?
The canonical SMILES for N-[[4-(4-methoxyphenyl)thiophen-2-yl]methyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride is COc1ccc(-c2csc(CNC3CCCC3C3COCCN3)c2)cc1.Cl.
What is the InChIKey of N-[[4-(4-methoxyphenyl)thiophen-2-yl]methyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride?
The InChIKey is WSDGAMZYEHXUAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O2S.ClH/c1-24-17-7-5-15(6-8-17)16-11-18(26-14-16)12-23-20-4-2-3-19(20)21-13-25-10-9-22-21;/h5-8,11,14,19-23H,2-4,9-10,12-13H2,1H3;1H.
What are the key properties of N-[[4-(4-methoxyphenyl)thiophen-2-yl]methyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride?
N-[[4-(4-methoxyphenyl)thiophen-2-yl]methyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride has a molecular weight of 409.00 g/mol, XLogP of 4.09, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(4-methoxyphenyl)thiophen-2-yl]methyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride is sourced from PubChem (CID 120915106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).