N-[[1-(chloromethyl)cyclopropyl]methyl]-4-methylthiophene-3-carboxamide

C11H14ClNOS — CID 115456183

IUPACN-[[1-(chloromethyl)cyclopropyl]methyl]-4-methylthiophene-3-carboxamide
SMILESCc1cscc1C(=O)NCC1(CCl)CC1
InChIInChI=1S/C11H14ClNOS/c1-8-4-15-5-9(8)10(14)13-7-11(6-12)2-3-11/h4-5H,2-3,6-7H2,1H3,(H,13,14)
InChIKeyRPKRIUVRSTZKHM-UHFFFAOYSA-N
MW243.76 g/mol
LogP2.81
Rot. Bonds4

About N-[[1-(chloromethyl)cyclopropyl]methyl]-4-methylthiophene-3-carboxamide

N-[[1-(chloromethyl)cyclopropyl]methyl]-4-methylthiophene-3-carboxamide (PubChem CID 115456183) has the molecular formula C11H14ClNOS and a molecular weight of 243.76 g/mol. Its IUPAC name is N-[[1-(chloromethyl)cyclopropyl]methyl]-4-methylthiophene-3-carboxamide.

Molecular Properties

Compound NameN-[[1-(chloromethyl)cyclopropyl]methyl]-4-methylthiophene-3-carboxamide
PubChem CID115456183
Molecular FormulaC11H14ClNOS
Molecular Weight243.76 g/mol
Exact Mass243.05
IUPAC NameN-[[1-(chloromethyl)cyclopropyl]methyl]-4-methylthiophene-3-carboxamide
SMILESCc1cscc1C(=O)NCC1(CCl)CC1
InChIInChI=1S/C11H14ClNOS/c1-8-4-15-5-9(8)10(14)13-7-11(6-12)2-3-11/h4-5H,2-3,6-7H2,1H3,(H,13,14)
InChIKeyRPKRIUVRSTZKHM-UHFFFAOYSA-N
XLogP2.81
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.76
LogP ≤ 52.81
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

5-bromo-N-[[1-(chloromethyl)cyclopropyl]methyl]-2-methylbenzamide
CID 115455960
2-bromo-N-[[1-(chloromethyl)cyclopropyl]methyl]-3-methylbenzamide
CID 107984007
4-methyl-1-[[(4-methylthiophene-3-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 115440888
N-(4-chlorobutyl)-4-methylthiophene-3-carboxamide
CID 106845248
N-[[1-(chloromethyl)cyclohexyl]methyl]-2,3-dimethylbenzamide
CID 103969399
N-[[1-(chloromethyl)cyclopropyl]methyl]-2-iodobenzamide
CID 115455970
N-[[1-(chloromethyl)cyclopropyl]methyl]-2-methyl-5-nitrobenzamide
CID 115456069
N-[[1-(chloromethyl)cyclopentyl]methyl]-5-fluoro-2-methylbenzamide
CID 113294793
N-[[1-(chloromethyl)cyclopentyl]methyl]-3-methylthiophene-2-carboxamide
CID 115364037
N-[[1-(chloromethyl)cyclopropyl]methyl]naphthalene-1-carboxamide
CID 115456005
N-[[1-(2-chloroethyl)cyclopropyl]methyl]-2-methylbenzamide
CID 114757948
N-[[1-(chloromethyl)cyclohexyl]methyl]-3-hydroxy-2-methylbenzamide
CID 103969522

Frequently Asked Questions

What is the IUPAC name of N-[[1-(chloromethyl)cyclopropyl]methyl]-4-methylthiophene-3-carboxamide?
The IUPAC name of N-[[1-(chloromethyl)cyclopropyl]methyl]-4-methylthiophene-3-carboxamide (CID 115456183) is N-[[1-(chloromethyl)cyclopropyl]methyl]-4-methylthiophene-3-carboxamide.
What is the SMILES notation for N-[[1-(chloromethyl)cyclopropyl]methyl]-4-methylthiophene-3-carboxamide?
The canonical SMILES for N-[[1-(chloromethyl)cyclopropyl]methyl]-4-methylthiophene-3-carboxamide is Cc1cscc1C(=O)NCC1(CCl)CC1.
What is the InChIKey of N-[[1-(chloromethyl)cyclopropyl]methyl]-4-methylthiophene-3-carboxamide?
The InChIKey is RPKRIUVRSTZKHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNOS/c1-8-4-15-5-9(8)10(14)13-7-11(6-12)2-3-11/h4-5H,2-3,6-7H2,1H3,(H,13,14).
What are the key properties of N-[[1-(chloromethyl)cyclopropyl]methyl]-4-methylthiophene-3-carboxamide?
N-[[1-(chloromethyl)cyclopropyl]methyl]-4-methylthiophene-3-carboxamide has a molecular weight of 243.76 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(chloromethyl)cyclopropyl]methyl]-4-methylthiophene-3-carboxamide is sourced from PubChem (CID 115456183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).