N-[2-(chloromethyl)cyclohexyl]-3-methylthiophene-2-carboxamide

C13H18ClNOS — CID 106366771

IUPACN-[2-(chloromethyl)cyclohexyl]-3-methylthiophene-2-carboxamide
SMILESCc1ccsc1C(=O)NC1CCCCC1CCl
InChIInChI=1S/C13H18ClNOS/c1-9-6-7-17-12(9)13(16)15-11-5-3-2-4-10(11)8-14/h6-7,10-11H,2-5,8H2,1H3,(H,15,16)
InChIKeyGCTYNMNXPCAMBT-UHFFFAOYSA-N
MW271.81 g/mol
LogP3.58
Rot. Bonds3

About N-[2-(chloromethyl)cyclohexyl]-3-methylthiophene-2-carboxamide

N-[2-(chloromethyl)cyclohexyl]-3-methylthiophene-2-carboxamide (PubChem CID 106366771) has the molecular formula C13H18ClNOS and a molecular weight of 271.81 g/mol. Its IUPAC name is N-[2-(chloromethyl)cyclohexyl]-3-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(chloromethyl)cyclohexyl]-3-methylthiophene-2-carboxamide
PubChem CID106366771
Molecular FormulaC13H18ClNOS
Molecular Weight271.81 g/mol
Exact Mass271.08
IUPAC NameN-[2-(chloromethyl)cyclohexyl]-3-methylthiophene-2-carboxamide
SMILESCc1ccsc1C(=O)NC1CCCCC1CCl
InChIInChI=1S/C13H18ClNOS/c1-9-6-7-17-12(9)13(16)15-11-5-3-2-4-10(11)8-14/h6-7,10-11H,2-5,8H2,1H3,(H,15,16)
InChIKeyGCTYNMNXPCAMBT-UHFFFAOYSA-N
XLogP3.58
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.81
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

3-chloro-N-[2-(chloromethyl)cyclohexyl]thiophene-2-carboxamide
CID 106366820
3-methyl-N-[2-(piperidin-1-ylmethyl)cyclohexyl]thiophene-2-carboxamide
CID 140519163
N-(2-aminocyclohexyl)-3-methylthiophene-2-carboxamide;hydrochloride
CID 71638238
3-methyl-N-(2-methylcyclohexyl)thiophene-2-carboxamide
CID 25162656
N-(2-cyanocyclopentyl)-3-methylthiophene-2-carboxamide
CID 62963070
N-[2-(chloromethyl)cyclopentyl]-2,3-dimethylbenzamide
CID 114179397
N-[2-(chloromethyl)cyclohexyl]-2-hydroxy-3-methylbenzamide
CID 106366835
4-chloro-N-[2-(chloromethyl)cyclohexyl]-2-methylbenzamide
CID 114179592
3-chloro-N-[2-(hydroxymethyl)cyclopentyl]thiophene-2-carboxamide
CID 106364449
N-[2-(chloromethyl)cyclohexyl]-3-methylpyridine-2-carboxamide
CID 114179571
N-[(1S,2R)-2-[4-(2-hydroxypropan-2-yl)triazol-1-yl]cyclohexyl]-3-methylthiophene-2-carboxamide
CID 128994036
N-[2-(bromomethyl)cyclopentyl]-3-ethylthiophene-2-carboxamide
CID 106366310

Frequently Asked Questions

What is the IUPAC name of N-[2-(chloromethyl)cyclohexyl]-3-methylthiophene-2-carboxamide?
The IUPAC name of N-[2-(chloromethyl)cyclohexyl]-3-methylthiophene-2-carboxamide (CID 106366771) is N-[2-(chloromethyl)cyclohexyl]-3-methylthiophene-2-carboxamide.
What is the SMILES notation for N-[2-(chloromethyl)cyclohexyl]-3-methylthiophene-2-carboxamide?
The canonical SMILES for N-[2-(chloromethyl)cyclohexyl]-3-methylthiophene-2-carboxamide is Cc1ccsc1C(=O)NC1CCCCC1CCl.
What is the InChIKey of N-[2-(chloromethyl)cyclohexyl]-3-methylthiophene-2-carboxamide?
The InChIKey is GCTYNMNXPCAMBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNOS/c1-9-6-7-17-12(9)13(16)15-11-5-3-2-4-10(11)8-14/h6-7,10-11H,2-5,8H2,1H3,(H,15,16).
What are the key properties of N-[2-(chloromethyl)cyclohexyl]-3-methylthiophene-2-carboxamide?
N-[2-(chloromethyl)cyclohexyl]-3-methylthiophene-2-carboxamide has a molecular weight of 271.81 g/mol, XLogP of 3.58, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(chloromethyl)cyclohexyl]-3-methylthiophene-2-carboxamide is sourced from PubChem (CID 106366771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).