4-(aminomethyl)-N-[2-(5-bromothiophen-2-yl)ethyl]cyclohexane-1-carboxamide

C14H21BrN2OS — CID 103808336

IUPAC4-(aminomethyl)-N-[2-(5-bromothiophen-2-yl)ethyl]cyclohexane-1-carboxamide
SMILESNCC1CCC(C(=O)NCCc2ccc(Br)s2)CC1
InChIInChI=1S/C14H21BrN2OS/c15-13-6-5-12(19-13)7-8-17-14(18)11-3-1-10(9-16)2-4-11/h5-6,10-11H,1-4,7-9,16H2,(H,17,18)
InChIKeyCEEJHRFYSQERJE-UHFFFAOYSA-N
MW345.31 g/mol
LogP2.93
Rot. Bonds5

About 4-(aminomethyl)-N-[2-(5-bromothiophen-2-yl)ethyl]cyclohexane-1-carboxamide

4-(aminomethyl)-N-[2-(5-bromothiophen-2-yl)ethyl]cyclohexane-1-carboxamide (PubChem CID 103808336) has the molecular formula C14H21BrN2OS and a molecular weight of 345.31 g/mol. Its IUPAC name is 4-(aminomethyl)-N-[2-(5-bromothiophen-2-yl)ethyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-[2-(5-bromothiophen-2-yl)ethyl]cyclohexane-1-carboxamide
PubChem CID103808336
Molecular FormulaC14H21BrN2OS
Molecular Weight345.31 g/mol
Exact Mass344.06
IUPAC Name4-(aminomethyl)-N-[2-(5-bromothiophen-2-yl)ethyl]cyclohexane-1-carboxamide
SMILESNCC1CCC(C(=O)NCCc2ccc(Br)s2)CC1
InChIInChI=1S/C14H21BrN2OS/c15-13-6-5-12(19-13)7-8-17-14(18)11-3-1-10(9-16)2-4-11/h5-6,10-11H,1-4,7-9,16H2,(H,17,18)
InChIKeyCEEJHRFYSQERJE-UHFFFAOYSA-N
XLogP2.93
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.31
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(5-bromothiophen-2-yl)ethyl]-4-hydroxycyclohexane-1-carboxamide
CID 115150875
3-amino-N-[2-(5-bromothiophen-2-yl)ethyl]cyclopentane-1-carboxamide
CID 113266074
1-acetyl-N-[2-(5-bromothiophen-2-yl)ethyl]piperidine-4-carboxamide
CID 18154851
4-(aminomethyl)-N-(2-thiophen-2-ylethyl)cyclohexane-1-carboxamide
CID 79527612
(2S)-2-amino-N-[2-(5-bromothiophen-2-yl)ethyl]-3-cyclopropylpropanamide
CID 112735476
N-[2-(5-bromothiophen-2-yl)ethyl]-1,1-dioxothiolane-3-carboxamide
CID 18157738
N-[2-(5-bromothiophen-2-yl)ethyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119699604
4-(aminomethyl)-N-[2-(cyclopropanecarbonylamino)ethyl]cyclohexane-1-carboxamide
CID 104963779
N-[2-[[N'-[2-(5-bromothiophen-2-yl)ethyl]-N-ethylcarbamimidoyl]amino]ethyl]cyclopropanecarboxamide
CID 111863265
2-[2-(5-bromothiophen-2-yl)ethylamino]-N-(cyclopropylmethyl)acetamide
CID 106047038
N-[(5-bromothiophen-2-yl)methyl]cyclohexanecarboxamide
CID 32775478
5-bromo-N-[2-(cyclopropanecarbonylamino)ethyl]thiophene-2-carboxamide
CID 47098978

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-[2-(5-bromothiophen-2-yl)ethyl]cyclohexane-1-carboxamide?
The IUPAC name of 4-(aminomethyl)-N-[2-(5-bromothiophen-2-yl)ethyl]cyclohexane-1-carboxamide (CID 103808336) is 4-(aminomethyl)-N-[2-(5-bromothiophen-2-yl)ethyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 4-(aminomethyl)-N-[2-(5-bromothiophen-2-yl)ethyl]cyclohexane-1-carboxamide?
The canonical SMILES for 4-(aminomethyl)-N-[2-(5-bromothiophen-2-yl)ethyl]cyclohexane-1-carboxamide is NCC1CCC(C(=O)NCCc2ccc(Br)s2)CC1.
What is the InChIKey of 4-(aminomethyl)-N-[2-(5-bromothiophen-2-yl)ethyl]cyclohexane-1-carboxamide?
The InChIKey is CEEJHRFYSQERJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2OS/c15-13-6-5-12(19-13)7-8-17-14(18)11-3-1-10(9-16)2-4-11/h5-6,10-11H,1-4,7-9,16H2,(H,17,18).
What are the key properties of 4-(aminomethyl)-N-[2-(5-bromothiophen-2-yl)ethyl]cyclohexane-1-carboxamide?
4-(aminomethyl)-N-[2-(5-bromothiophen-2-yl)ethyl]cyclohexane-1-carboxamide has a molecular weight of 345.31 g/mol, XLogP of 2.93, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-[2-(5-bromothiophen-2-yl)ethyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 103808336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).