2,2-dichloro-1-methyl-N-(2-thiophen-2-ylethyl)cyclopropane-1-carboxamide

C11H13Cl2NOS — CID 42910761

IUPAC2,2-dichloro-1-methyl-N-(2-thiophen-2-ylethyl)cyclopropane-1-carboxamide
SMILESCC1(C(=O)NCCc2cccs2)CC1(Cl)Cl
InChIInChI=1S/C11H13Cl2NOS/c1-10(7-11(10,12)13)9(15)14-5-4-8-3-2-6-16-8/h2-3,6H,4-5,7H2,1H3,(H,14,15)
InChIKeyWLQXHMHJAXUFEE-UHFFFAOYSA-N
MW278.20 g/mol
LogP2.99
Rot. Bonds4

About 2,2-dichloro-1-methyl-N-(2-thiophen-2-ylethyl)cyclopropane-1-carboxamide

2,2-dichloro-1-methyl-N-(2-thiophen-2-ylethyl)cyclopropane-1-carboxamide (PubChem CID 42910761) has the molecular formula C11H13Cl2NOS and a molecular weight of 278.20 g/mol. Its IUPAC name is 2,2-dichloro-1-methyl-N-(2-thiophen-2-ylethyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2,2-dichloro-1-methyl-N-(2-thiophen-2-ylethyl)cyclopropane-1-carboxamide
PubChem CID42910761
Molecular FormulaC11H13Cl2NOS
Molecular Weight278.20 g/mol
Exact Mass277.01
IUPAC Name2,2-dichloro-1-methyl-N-(2-thiophen-2-ylethyl)cyclopropane-1-carboxamide
SMILESCC1(C(=O)NCCc2cccs2)CC1(Cl)Cl
InChIInChI=1S/C11H13Cl2NOS/c1-10(7-11(10,12)13)9(15)14-5-4-8-3-2-6-16-8/h2-3,6H,4-5,7H2,1H3,(H,14,15)
InChIKeyWLQXHMHJAXUFEE-UHFFFAOYSA-N
XLogP2.99
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.20
LogP ≤ 52.99
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

15-methyl-N-(2-thiophen-2-ylethyl)tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide
CID 23596257
2,4-dimethyl-N-(2-thiophen-2-ylethyl)morpholine-2-carboxamide
CID 73439515
3-amino-N-(2-thiophen-2-ylethyl)oxolane-3-carboxamide
CID 64892897
1-cyano-N-(2-thiophen-2-ylethyl)cyclobutane-1-carboxamide
CID 78994707
2-hydroxy-N-(2-thiophen-2-ylethyl)acetamide
CID 13454159
1-amino-3-methyl-N-(2-thiophen-2-ylethyl)cyclohexane-1-carboxamide
CID 64551642
N'-(2-thiophen-2-ylethyl)oxamide
CID 115192053
4-amino-2,2-dimethyl-N-(2-thiophen-2-ylethyl)butanamide
CID 115157089
tert-butyl 2-oxo-2-(2-thiophen-2-ylethylamino)acetate
CID 115141760
N-(2-aminoethyl)-2,2-dichloro-1-methylcyclopropane-1-carboxamide
CID 130652201
2-ethylsulfonyl-N-(2-thiophen-2-ylethyl)acetamide
CID 47207166
2-amino-2-methyl-N-(2-thiophen-2-ylethyl)pentanamide
CID 60847685

Frequently Asked Questions

What is the IUPAC name of 2,2-dichloro-1-methyl-N-(2-thiophen-2-ylethyl)cyclopropane-1-carboxamide?
The IUPAC name of 2,2-dichloro-1-methyl-N-(2-thiophen-2-ylethyl)cyclopropane-1-carboxamide (CID 42910761) is 2,2-dichloro-1-methyl-N-(2-thiophen-2-ylethyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 2,2-dichloro-1-methyl-N-(2-thiophen-2-ylethyl)cyclopropane-1-carboxamide?
The canonical SMILES for 2,2-dichloro-1-methyl-N-(2-thiophen-2-ylethyl)cyclopropane-1-carboxamide is CC1(C(=O)NCCc2cccs2)CC1(Cl)Cl.
What is the InChIKey of 2,2-dichloro-1-methyl-N-(2-thiophen-2-ylethyl)cyclopropane-1-carboxamide?
The InChIKey is WLQXHMHJAXUFEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Cl2NOS/c1-10(7-11(10,12)13)9(15)14-5-4-8-3-2-6-16-8/h2-3,6H,4-5,7H2,1H3,(H,14,15).
What are the key properties of 2,2-dichloro-1-methyl-N-(2-thiophen-2-ylethyl)cyclopropane-1-carboxamide?
2,2-dichloro-1-methyl-N-(2-thiophen-2-ylethyl)cyclopropane-1-carboxamide has a molecular weight of 278.20 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dichloro-1-methyl-N-(2-thiophen-2-ylethyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 42910761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).