N-[[1-(chloromethyl)cyclopentyl]methyl]-3-methylthiophene-2-carboxamide

C13H18ClNOS — CID 115364037

IUPACN-[[1-(chloromethyl)cyclopentyl]methyl]-3-methylthiophene-2-carboxamide
SMILESCc1ccsc1C(=O)NCC1(CCl)CCCC1
InChIInChI=1S/C13H18ClNOS/c1-10-4-7-17-11(10)12(16)15-9-13(8-14)5-2-3-6-13/h4,7H,2-3,5-6,8-9H2,1H3,(H,15,16)
InChIKeyPQMQDUHIBHADGL-UHFFFAOYSA-N
MW271.81 g/mol
LogP3.59
Rot. Bonds4

About N-[[1-(chloromethyl)cyclopentyl]methyl]-3-methylthiophene-2-carboxamide

N-[[1-(chloromethyl)cyclopentyl]methyl]-3-methylthiophene-2-carboxamide (PubChem CID 115364037) has the molecular formula C13H18ClNOS and a molecular weight of 271.81 g/mol. Its IUPAC name is N-[[1-(chloromethyl)cyclopentyl]methyl]-3-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[[1-(chloromethyl)cyclopentyl]methyl]-3-methylthiophene-2-carboxamide
PubChem CID115364037
Molecular FormulaC13H18ClNOS
Molecular Weight271.81 g/mol
Exact Mass271.08
IUPAC NameN-[[1-(chloromethyl)cyclopentyl]methyl]-3-methylthiophene-2-carboxamide
SMILESCc1ccsc1C(=O)NCC1(CCl)CCCC1
InChIInChI=1S/C13H18ClNOS/c1-10-4-7-17-11(10)12(16)15-9-13(8-14)5-2-3-6-13/h4,7H,2-3,5-6,8-9H2,1H3,(H,15,16)
InChIKeyPQMQDUHIBHADGL-UHFFFAOYSA-N
XLogP3.59
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.81
LogP ≤ 53.59
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-methyl-N-[[1-(methylaminomethyl)cyclobutyl]methyl]thiophene-2-carboxamide
CID 115272118
N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-3-methylthiophene-2-carboxamide
CID 65123688
N-[[1-(chloromethyl)cyclohexyl]methyl]-2,3-dimethylbenzamide
CID 103969399
N-(aminomethyl)-3-methylthiophene-2-carboxamide
CID 169257485
N-[[1-(chloromethyl)cyclopentyl]methyl]-5-fluoro-2-methylbenzamide
CID 113294793
N-[[1-(chloromethyl)cyclopentyl]methyl]-4-fluoro-3-methylbenzamide
CID 113294723
4-bromo-N-[[1-(chloromethyl)cyclopentyl]methyl]-3-methylbenzamide
CID 113397023
N-[[1-(chloromethyl)cyclohexyl]methyl]-3-methylpyridine-2-carboxamide
CID 103969592
N-(cyclobutylmethyl)-3-methylthiophene-2-carboxamide
CID 94169217
3-bromo-N-[[1-(bromomethyl)cyclohexyl]methyl]thiophene-2-carboxamide
CID 103969700
N-[[1-(chloromethyl)cyclohexyl]methyl]-2-(2-methylphenyl)acetamide
CID 103969602
N-[[1-(hydroxymethyl)cyclohexyl]methyl]-3-methoxythiophene-2-carboxamide
CID 112699709

Frequently Asked Questions

What is the IUPAC name of N-[[1-(chloromethyl)cyclopentyl]methyl]-3-methylthiophene-2-carboxamide?
The IUPAC name of N-[[1-(chloromethyl)cyclopentyl]methyl]-3-methylthiophene-2-carboxamide (CID 115364037) is N-[[1-(chloromethyl)cyclopentyl]methyl]-3-methylthiophene-2-carboxamide.
What is the SMILES notation for N-[[1-(chloromethyl)cyclopentyl]methyl]-3-methylthiophene-2-carboxamide?
The canonical SMILES for N-[[1-(chloromethyl)cyclopentyl]methyl]-3-methylthiophene-2-carboxamide is Cc1ccsc1C(=O)NCC1(CCl)CCCC1.
What is the InChIKey of N-[[1-(chloromethyl)cyclopentyl]methyl]-3-methylthiophene-2-carboxamide?
The InChIKey is PQMQDUHIBHADGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNOS/c1-10-4-7-17-11(10)12(16)15-9-13(8-14)5-2-3-6-13/h4,7H,2-3,5-6,8-9H2,1H3,(H,15,16).
What are the key properties of N-[[1-(chloromethyl)cyclopentyl]methyl]-3-methylthiophene-2-carboxamide?
N-[[1-(chloromethyl)cyclopentyl]methyl]-3-methylthiophene-2-carboxamide has a molecular weight of 271.81 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(chloromethyl)cyclopentyl]methyl]-3-methylthiophene-2-carboxamide is sourced from PubChem (CID 115364037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).