[3-(aminomethyl)piperidin-1-yl]-(2,5-dibromothiophen-3-yl)methanone

C11H14Br2N2OS — CID 103805957

IUPAC[3-(aminomethyl)piperidin-1-yl]-(2,5-dibromothiophen-3-yl)methanone
SMILESNCC1CCCN(C(=O)c2cc(Br)sc2Br)C1
InChIInChI=1S/C11H14Br2N2OS/c12-9-4-8(10(13)17-9)11(16)15-3-1-2-7(5-14)6-15/h4,7H,1-3,5-6,14H2
InChIKeySOMAPXHSMCKBEL-UHFFFAOYSA-N
MW382.12 g/mol
LogP3.08
Rot. Bonds2

About [3-(aminomethyl)piperidin-1-yl]-(2,5-dibromothiophen-3-yl)methanone

[3-(aminomethyl)piperidin-1-yl]-(2,5-dibromothiophen-3-yl)methanone (PubChem CID 103805957) has the molecular formula C11H14Br2N2OS and a molecular weight of 382.12 g/mol. Its IUPAC name is [3-(aminomethyl)piperidin-1-yl]-(2,5-dibromothiophen-3-yl)methanone.

Molecular Properties

Compound Name[3-(aminomethyl)piperidin-1-yl]-(2,5-dibromothiophen-3-yl)methanone
PubChem CID103805957
Molecular FormulaC11H14Br2N2OS
Molecular Weight382.12 g/mol
Exact Mass379.92
IUPAC Name[3-(aminomethyl)piperidin-1-yl]-(2,5-dibromothiophen-3-yl)methanone
SMILESNCC1CCCN(C(=O)c2cc(Br)sc2Br)C1
InChIInChI=1S/C11H14Br2N2OS/c12-9-4-8(10(13)17-9)11(16)15-3-1-2-7(5-14)6-15/h4,7H,1-3,5-6,14H2
InChIKeySOMAPXHSMCKBEL-UHFFFAOYSA-N
XLogP3.08
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.12
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(2-aminoethyl)piperidin-1-yl]-(2,5-dibromothiophen-3-yl)methanone
CID 114021489
(2,5-dibromothiophen-3-yl)-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119492230
(2,5-dibromothiophen-3-yl)-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 113265618
[3-(aminomethyl)piperidin-1-yl]-(4-bromo-2-chlorophenyl)methanone;hydrochloride
CID 119465115
[3-(aminomethyl)piperidin-1-yl]-(5-bromo-2-fluorophenyl)methanone;hydrochloride
CID 119464932
(2,5-dibromothiophen-3-yl)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone
CID 103745564
[3-(aminomethyl)piperidin-1-yl]-(6-bromonaphthalen-2-yl)methanone
CID 115354200
[3-(aminomethyl)piperidin-1-yl]-(2,4-difluorophenyl)methanone;hydrochloride
CID 119465009
[3-(aminomethyl)piperidin-1-yl]-(2,3-dichlorophenyl)methanone;hydrochloride
CID 119464789
[3-(aminomethyl)piperidin-1-yl]-(2,4-difluoro-5-methylphenyl)methanone
CID 112701232
[3-(aminomethyl)piperidin-1-yl]-(4-chloro-2-fluorophenyl)methanone;hydrochloride
CID 119464843
[3-(aminomethyl)piperidin-1-yl]-(5-fluoro-2-methylphenyl)methanone;hydrochloride
CID 119465078

Frequently Asked Questions

What is the IUPAC name of [3-(aminomethyl)piperidin-1-yl]-(2,5-dibromothiophen-3-yl)methanone?
The IUPAC name of [3-(aminomethyl)piperidin-1-yl]-(2,5-dibromothiophen-3-yl)methanone (CID 103805957) is [3-(aminomethyl)piperidin-1-yl]-(2,5-dibromothiophen-3-yl)methanone.
What is the SMILES notation for [3-(aminomethyl)piperidin-1-yl]-(2,5-dibromothiophen-3-yl)methanone?
The canonical SMILES for [3-(aminomethyl)piperidin-1-yl]-(2,5-dibromothiophen-3-yl)methanone is NCC1CCCN(C(=O)c2cc(Br)sc2Br)C1.
What is the InChIKey of [3-(aminomethyl)piperidin-1-yl]-(2,5-dibromothiophen-3-yl)methanone?
The InChIKey is SOMAPXHSMCKBEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14Br2N2OS/c12-9-4-8(10(13)17-9)11(16)15-3-1-2-7(5-14)6-15/h4,7H,1-3,5-6,14H2.
What are the key properties of [3-(aminomethyl)piperidin-1-yl]-(2,5-dibromothiophen-3-yl)methanone?
[3-(aminomethyl)piperidin-1-yl]-(2,5-dibromothiophen-3-yl)methanone has a molecular weight of 382.12 g/mol, XLogP of 3.08, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(aminomethyl)piperidin-1-yl]-(2,5-dibromothiophen-3-yl)methanone is sourced from PubChem (CID 103805957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).