N-(5-bromothiophen-2-yl)-4-(methylamino)cyclohexane-1-carboxamide

C12H17BrN2OS — CID 115150612

IUPACN-(5-bromothiophen-2-yl)-4-(methylamino)cyclohexane-1-carboxamide
SMILESCNC1CCC(C(=O)Nc2ccc(Br)s2)CC1
InChIInChI=1S/C12H17BrN2OS/c1-14-9-4-2-8(3-5-9)12(16)15-11-7-6-10(13)17-11/h6-9,14H,2-5H2,1H3,(H,15,16)
InChIKeyWYHGSUXAHBGBNC-UHFFFAOYSA-N
MW317.25 g/mol
LogP3.23
Rot. Bonds3

About N-(5-bromothiophen-2-yl)-4-(methylamino)cyclohexane-1-carboxamide

N-(5-bromothiophen-2-yl)-4-(methylamino)cyclohexane-1-carboxamide (PubChem CID 115150612) has the molecular formula C12H17BrN2OS and a molecular weight of 317.25 g/mol. Its IUPAC name is N-(5-bromothiophen-2-yl)-4-(methylamino)cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(5-bromothiophen-2-yl)-4-(methylamino)cyclohexane-1-carboxamide
PubChem CID115150612
Molecular FormulaC12H17BrN2OS
Molecular Weight317.25 g/mol
Exact Mass316.02
IUPAC NameN-(5-bromothiophen-2-yl)-4-(methylamino)cyclohexane-1-carboxamide
SMILESCNC1CCC(C(=O)Nc2ccc(Br)s2)CC1
InChIInChI=1S/C12H17BrN2OS/c1-14-9-4-2-8(3-5-9)12(16)15-11-7-6-10(13)17-11/h6-9,14H,2-5H2,1H3,(H,15,16)
InChIKeyWYHGSUXAHBGBNC-UHFFFAOYSA-N
XLogP3.23
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.25
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(5-bromothiophen-2-yl)-4-(methylamino)cyclohexane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-amino-N-(5-bromothiophen-2-yl)cyclobutane-1-carboxamide
CID 115161279
N-(5-bromothiophen-2-yl)pyrrolidine-3-carboxamide
CID 115159357
5-(cyclopropanecarbonylamino)-N-propan-2-ylthiophene-2-carboxamide
CID 18135400
N-[5-(piperidine-1-carbonyl)thiophen-2-yl]cyclopropanecarboxamide
CID 18135424
(5-bromothiophen-2-yl)-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119563118
5-bromo-N'-(cyclopropanecarbonyl)thiophene-2-carbohydrazide
CID 26662526
N-(5-bromothiophen-2-yl)morpholine-3-carboxamide
CID 115177539
2-[[5-(cyclopropanecarbonylamino)thiophene-2-carbonyl]-methylamino]acetic acid
CID 43356222
N-(2,4-difluorophenyl)-4-(methylamino)cyclohexane-1-carboxamide
CID 115150615
(4-bromophenyl)-[4-(methylamino)cyclohexyl]methanone
CID 116917587
N-[3-[1-(5-bromothiophen-2-yl)ethylamino]phenyl]cyclopropanecarboxamide
CID 60999470
5-(cyclopropanecarbonylamino)-N-(1-hydroxypropan-2-yl)thiophene-2-carboxamide
CID 43418626

Frequently Asked Questions

What is the IUPAC name of N-(5-bromothiophen-2-yl)-4-(methylamino)cyclohexane-1-carboxamide?
The IUPAC name of N-(5-bromothiophen-2-yl)-4-(methylamino)cyclohexane-1-carboxamide (CID 115150612) is N-(5-bromothiophen-2-yl)-4-(methylamino)cyclohexane-1-carboxamide.
What is the SMILES notation for N-(5-bromothiophen-2-yl)-4-(methylamino)cyclohexane-1-carboxamide?
The canonical SMILES for N-(5-bromothiophen-2-yl)-4-(methylamino)cyclohexane-1-carboxamide is CNC1CCC(C(=O)Nc2ccc(Br)s2)CC1.
What is the InChIKey of N-(5-bromothiophen-2-yl)-4-(methylamino)cyclohexane-1-carboxamide?
The InChIKey is WYHGSUXAHBGBNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2OS/c1-14-9-4-2-8(3-5-9)12(16)15-11-7-6-10(13)17-11/h6-9,14H,2-5H2,1H3,(H,15,16).
What are the key properties of N-(5-bromothiophen-2-yl)-4-(methylamino)cyclohexane-1-carboxamide?
N-(5-bromothiophen-2-yl)-4-(methylamino)cyclohexane-1-carboxamide has a molecular weight of 317.25 g/mol, XLogP of 3.23, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromothiophen-2-yl)-4-(methylamino)cyclohexane-1-carboxamide is sourced from PubChem (CID 115150612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).