N-[(5-bromothiophen-2-yl)methyl]-2-morpholin-3-ylcyclopentan-1-amine

C14H21BrN2OS — CID 120913901

IUPACN-[(5-bromothiophen-2-yl)methyl]-2-morpholin-3-ylcyclopentan-1-amine
SMILESBrc1ccc(CNC2CCCC2C2COCCN2)s1
InChIInChI=1S/C14H21BrN2OS/c15-14-5-4-10(19-14)8-17-12-3-1-2-11(12)13-9-18-7-6-16-13/h4-5,11-13,16-17H,1-3,6-9H2
InChIKeyDYYXMPBKJFYOAW-UHFFFAOYSA-N
MW345.31 g/mol
LogP2.76
Rot. Bonds4

About N-[(5-bromothiophen-2-yl)methyl]-2-morpholin-3-ylcyclopentan-1-amine

N-[(5-bromothiophen-2-yl)methyl]-2-morpholin-3-ylcyclopentan-1-amine (PubChem CID 120913901) has the molecular formula C14H21BrN2OS and a molecular weight of 345.31 g/mol. Its IUPAC name is N-[(5-bromothiophen-2-yl)methyl]-2-morpholin-3-ylcyclopentan-1-amine.

Molecular Properties

Compound NameN-[(5-bromothiophen-2-yl)methyl]-2-morpholin-3-ylcyclopentan-1-amine
PubChem CID120913901
Molecular FormulaC14H21BrN2OS
Molecular Weight345.31 g/mol
Exact Mass344.06
IUPAC NameN-[(5-bromothiophen-2-yl)methyl]-2-morpholin-3-ylcyclopentan-1-amine
SMILESBrc1ccc(CNC2CCCC2C2COCCN2)s1
InChIInChI=1S/C14H21BrN2OS/c15-14-5-4-10(19-14)8-17-12-3-1-2-11(12)13-9-18-7-6-16-13/h4-5,11-13,16-17H,1-3,6-9H2
InChIKeyDYYXMPBKJFYOAW-UHFFFAOYSA-N
XLogP2.76
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.31
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(5-methylthiophen-2-yl)methyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride
CID 120915744
N-[2-(5-chlorothiophen-2-yl)ethyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride
CID 120914266
N-[(3-methylthiophen-2-yl)methyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride
CID 120913878
N-[(2-methylpyrazol-3-yl)methyl]-2-morpholin-3-ylcyclopentan-1-amine
CID 120915279
[3-[[(2-morpholin-3-ylcyclopentyl)amino]methyl]phenyl]methanol
CID 120914335
N-[(5-bromo-2-methoxyphenyl)methyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride
CID 120916214
N-[(5-ethylthiophen-2-yl)methyl]-2-piperidin-2-ylcyclopentan-1-amine
CID 106009248
2-morpholin-3-yl-N-[(2-propan-2-yloxyphenyl)methyl]cyclopentan-1-amine
CID 120914019
N-[(4-fluoro-3-methylphenyl)methyl]-2-morpholin-3-ylcyclopentan-1-amine
CID 120914901
N-(4-bromophenyl)-2-[(2-morpholin-3-ylcyclopentyl)amino]acetamide
CID 120913805
N-[[2-(azepan-1-ylmethyl)phenyl]methyl]-2-morpholin-3-ylcyclopentan-1-amine
CID 120913965
N-[[4-(4-methoxyphenyl)thiophen-2-yl]methyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride
CID 120915106

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromothiophen-2-yl)methyl]-2-morpholin-3-ylcyclopentan-1-amine?
The IUPAC name of N-[(5-bromothiophen-2-yl)methyl]-2-morpholin-3-ylcyclopentan-1-amine (CID 120913901) is N-[(5-bromothiophen-2-yl)methyl]-2-morpholin-3-ylcyclopentan-1-amine.
What is the SMILES notation for N-[(5-bromothiophen-2-yl)methyl]-2-morpholin-3-ylcyclopentan-1-amine?
The canonical SMILES for N-[(5-bromothiophen-2-yl)methyl]-2-morpholin-3-ylcyclopentan-1-amine is Brc1ccc(CNC2CCCC2C2COCCN2)s1.
What is the InChIKey of N-[(5-bromothiophen-2-yl)methyl]-2-morpholin-3-ylcyclopentan-1-amine?
The InChIKey is DYYXMPBKJFYOAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2OS/c15-14-5-4-10(19-14)8-17-12-3-1-2-11(12)13-9-18-7-6-16-13/h4-5,11-13,16-17H,1-3,6-9H2.
What are the key properties of N-[(5-bromothiophen-2-yl)methyl]-2-morpholin-3-ylcyclopentan-1-amine?
N-[(5-bromothiophen-2-yl)methyl]-2-morpholin-3-ylcyclopentan-1-amine has a molecular weight of 345.31 g/mol, XLogP of 2.76, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromothiophen-2-yl)methyl]-2-morpholin-3-ylcyclopentan-1-amine is sourced from PubChem (CID 120913901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).