N-[(4-bromothiophen-2-yl)methyl]-3-methoxycyclopentan-1-amine

C11H16BrNOS — CID 103081827

IUPACN-[(4-bromothiophen-2-yl)methyl]-3-methoxycyclopentan-1-amine
SMILESCOC1CCC(NCc2cc(Br)cs2)C1
InChIInChI=1S/C11H16BrNOS/c1-14-10-3-2-9(5-10)13-6-11-4-8(12)7-15-11/h4,7,9-10,13H,2-3,5-6H2,1H3
InChIKeySYFDYAPJCQPSFZ-UHFFFAOYSA-N
MW290.23 g/mol
LogP3.17
Rot. Bonds4

About N-[(4-bromothiophen-2-yl)methyl]-3-methoxycyclopentan-1-amine

N-[(4-bromothiophen-2-yl)methyl]-3-methoxycyclopentan-1-amine (PubChem CID 103081827) has the molecular formula C11H16BrNOS and a molecular weight of 290.23 g/mol. Its IUPAC name is N-[(4-bromothiophen-2-yl)methyl]-3-methoxycyclopentan-1-amine.

Molecular Properties

Compound NameN-[(4-bromothiophen-2-yl)methyl]-3-methoxycyclopentan-1-amine
PubChem CID103081827
Molecular FormulaC11H16BrNOS
Molecular Weight290.23 g/mol
Exact Mass289.01
IUPAC NameN-[(4-bromothiophen-2-yl)methyl]-3-methoxycyclopentan-1-amine
SMILESCOC1CCC(NCc2cc(Br)cs2)C1
InChIInChI=1S/C11H16BrNOS/c1-14-10-3-2-9(5-10)13-6-11-4-8(12)7-15-11/h4,7,9-10,13H,2-3,5-6H2,1H3
InChIKeySYFDYAPJCQPSFZ-UHFFFAOYSA-N
XLogP3.17
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.23
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(4-bromothiophen-2-yl)methyl]-3-methoxycyclopentan-1-amine with MolForge

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Related Compounds

3-methoxy-N-[(4-phenylthiophen-2-yl)methyl]cyclopentan-1-amine
CID 103081741
trans-(1S,3S)-N-[(4-bromothiophen-2-yl)methyl]-3-methylcyclohexan-1-amine
CID 93287197
N-[(4-bromothiophen-2-yl)methyl]cyclopent-3-en-1-amine
CID 115696389
N-[(4-bromothiophen-2-yl)methyl]-2,2-dimethyl-1,3-dioxan-5-amine
CID 104588894
N-[(4-bromothiophen-2-yl)methyl]-1-tert-butylpiperidin-4-amine
CID 54866584
N-[(5-bromo-2-propoxyphenyl)methyl]-3-methoxycyclopentan-1-amine
CID 103081811
trans-(1S,2S)-N-[(4-bromothiophen-2-yl)methyl]-2-methylcyclopentan-1-amine
CID 95377382
(2R,3S)-N-[(4-bromothiophen-2-yl)methyl]-2-methyloxolan-3-amine
CID 97358196
N-[(4-bromothiophen-2-yl)methyl]tricyclo[5.2.1.02,6]decan-8-amine
CID 43726768
N-[(3-bromothiophen-2-yl)methyl]-3-methoxycyclobutan-1-amine
CID 104756829
1-[4-[(4-bromothiophen-2-yl)methylamino]piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 43747754
3-methyl-N-[(4-phenylthiophen-2-yl)methyl]cyclopentan-1-amine
CID 114543900

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromothiophen-2-yl)methyl]-3-methoxycyclopentan-1-amine?
The IUPAC name of N-[(4-bromothiophen-2-yl)methyl]-3-methoxycyclopentan-1-amine (CID 103081827) is N-[(4-bromothiophen-2-yl)methyl]-3-methoxycyclopentan-1-amine.
What is the SMILES notation for N-[(4-bromothiophen-2-yl)methyl]-3-methoxycyclopentan-1-amine?
The canonical SMILES for N-[(4-bromothiophen-2-yl)methyl]-3-methoxycyclopentan-1-amine is COC1CCC(NCc2cc(Br)cs2)C1.
What is the InChIKey of N-[(4-bromothiophen-2-yl)methyl]-3-methoxycyclopentan-1-amine?
The InChIKey is SYFDYAPJCQPSFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNOS/c1-14-10-3-2-9(5-10)13-6-11-4-8(12)7-15-11/h4,7,9-10,13H,2-3,5-6H2,1H3.
What are the key properties of N-[(4-bromothiophen-2-yl)methyl]-3-methoxycyclopentan-1-amine?
N-[(4-bromothiophen-2-yl)methyl]-3-methoxycyclopentan-1-amine has a molecular weight of 290.23 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromothiophen-2-yl)methyl]-3-methoxycyclopentan-1-amine is sourced from PubChem (CID 103081827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).