(1R)-2,2-dichloro-N-[(1S)-1-(5-chlorothiophen-2-yl)ethyl]-1-methylcyclopropane-1-carboxamide

C11H12Cl3NOS — CID 39271937

IUPAC(1R)-2,2-dichloro-N-[(1S)-1-(5-chlorothiophen-2-yl)ethyl]-1-methylcyclopropane-1-carboxamide
SMILESC[C@H](NC(=O)[C@@]1(C)CC1(Cl)Cl)c1ccc(Cl)s1
InChIInChI=1S/C11H12Cl3NOS/c1-6(7-3-4-8(12)17-7)15-9(16)10(2)5-11(10,13)14/h3-4,6H,5H2,1-2H3,(H,15,16)/t6-,10+/m0/s1
InChIKeyAXYSDGLHTLZLQI-QUBYGPBYSA-N
MW312.65 g/mol
LogP4.16
Rot. Bonds3

About (1R)-2,2-dichloro-N-[(1S)-1-(5-chlorothiophen-2-yl)ethyl]-1-methylcyclopropane-1-carboxamide

(1R)-2,2-dichloro-N-[(1S)-1-(5-chlorothiophen-2-yl)ethyl]-1-methylcyclopropane-1-carboxamide (PubChem CID 39271937) has the molecular formula C11H12Cl3NOS and a molecular weight of 312.65 g/mol. Its IUPAC name is (1R)-2,2-dichloro-N-[(1S)-1-(5-chlorothiophen-2-yl)ethyl]-1-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound Name(1R)-2,2-dichloro-N-[(1S)-1-(5-chlorothiophen-2-yl)ethyl]-1-methylcyclopropane-1-carboxamide
PubChem CID39271937
Molecular FormulaC11H12Cl3NOS
Molecular Weight312.65 g/mol
Exact Mass310.97
IUPAC Name(1R)-2,2-dichloro-N-[(1S)-1-(5-chlorothiophen-2-yl)ethyl]-1-methylcyclopropane-1-carboxamide
SMILESC[C@H](NC(=O)[C@@]1(C)CC1(Cl)Cl)c1ccc(Cl)s1
InChIInChI=1S/C11H12Cl3NOS/c1-6(7-3-4-8(12)17-7)15-9(16)10(2)5-11(10,13)14/h3-4,6H,5H2,1-2H3,(H,15,16)/t6-,10+/m0/s1
InChIKeyAXYSDGLHTLZLQI-QUBYGPBYSA-N
XLogP4.16
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.65
LogP ≤ 54.16
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

N-[(1R)-1-(5-chlorothiophen-2-yl)ethyl]acetamide
CID 131207227
4-amino-N-[1-(5-chlorothiophen-2-yl)ethyl]oxane-4-carboxamide
CID 113280622
methyl N-[1-(5-chlorothiophen-2-yl)ethyl]carbamate
CID 115579886
2-bromo-N-[1-(5-chlorothiophen-2-yl)ethyl]propanamide
CID 107903709
2,2-dichloro-1-methyl-N-[1-(2-methylphenyl)ethyl]cyclopropane-1-carboxamide
CID 51164492
N-[1-(5-chlorothiophen-2-yl)ethyl]piperidine-4-carboxamide
CID 43705040
N-[1-(5-chlorothiophen-2-yl)ethyl]but-2-enamide
CID 112726739
2-amino-N-[1-(5-chlorothiophen-2-yl)ethyl]cyclopropane-1-carboxamide
CID 114998144
(1R)-2,2-dichloro-1-methyl-N-[(1R)-1-(4-methylsulfanylphenyl)ethyl]cyclopropane-1-carboxamide
CID 38917375
4-[1-(5-chlorothiophen-2-yl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 63783143
N-[1-(5-chlorothiophen-2-yl)ethyl]-2-propylpyrrolidine-2-carboxamide
CID 106974390
N-[1-(5-chlorothiophen-2-yl)ethyl]-2,6-dihydroxybenzamide
CID 103749027

Frequently Asked Questions

What is the IUPAC name of (1R)-2,2-dichloro-N-[(1S)-1-(5-chlorothiophen-2-yl)ethyl]-1-methylcyclopropane-1-carboxamide?
The IUPAC name of (1R)-2,2-dichloro-N-[(1S)-1-(5-chlorothiophen-2-yl)ethyl]-1-methylcyclopropane-1-carboxamide (CID 39271937) is (1R)-2,2-dichloro-N-[(1S)-1-(5-chlorothiophen-2-yl)ethyl]-1-methylcyclopropane-1-carboxamide.
What is the SMILES notation for (1R)-2,2-dichloro-N-[(1S)-1-(5-chlorothiophen-2-yl)ethyl]-1-methylcyclopropane-1-carboxamide?
The canonical SMILES for (1R)-2,2-dichloro-N-[(1S)-1-(5-chlorothiophen-2-yl)ethyl]-1-methylcyclopropane-1-carboxamide is C[C@H](NC(=O)[C@@]1(C)CC1(Cl)Cl)c1ccc(Cl)s1.
What is the InChIKey of (1R)-2,2-dichloro-N-[(1S)-1-(5-chlorothiophen-2-yl)ethyl]-1-methylcyclopropane-1-carboxamide?
The InChIKey is AXYSDGLHTLZLQI-QUBYGPBYSA-N. The full InChI is InChI=1S/C11H12Cl3NOS/c1-6(7-3-4-8(12)17-7)15-9(16)10(2)5-11(10,13)14/h3-4,6H,5H2,1-2H3,(H,15,16)/t6-,10+/m0/s1.
What are the key properties of (1R)-2,2-dichloro-N-[(1S)-1-(5-chlorothiophen-2-yl)ethyl]-1-methylcyclopropane-1-carboxamide?
(1R)-2,2-dichloro-N-[(1S)-1-(5-chlorothiophen-2-yl)ethyl]-1-methylcyclopropane-1-carboxamide has a molecular weight of 312.65 g/mol, XLogP of 4.16, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2,2-dichloro-N-[(1S)-1-(5-chlorothiophen-2-yl)ethyl]-1-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 39271937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).