(1S)-2,2-dibromo-1-methyl-N-(thiophen-2-ylmethyl)cyclopropane-1-carboxamide

C10H11Br2NOS — CID 2166491

IUPAC(1S)-2,2-dibromo-1-methyl-N-(thiophen-2-ylmethyl)cyclopropane-1-carboxamide
SMILESC[C@@]1(C(=O)NCc2cccs2)CC1(Br)Br
InChIInChI=1S/C10H11Br2NOS/c1-9(6-10(9,11)12)8(14)13-5-7-3-2-4-15-7/h2-4H,5-6H2,1H3,(H,13,14)/t9-/m0/s1
InChIKeyZJYJKOXRJZLZFA-VIFPVBQESA-N
MW353.08 g/mol
LogP3.26
Rot. Bonds3

About (1S)-2,2-dibromo-1-methyl-N-(thiophen-2-ylmethyl)cyclopropane-1-carboxamide

(1S)-2,2-dibromo-1-methyl-N-(thiophen-2-ylmethyl)cyclopropane-1-carboxamide (PubChem CID 2166491) has the molecular formula C10H11Br2NOS and a molecular weight of 353.08 g/mol. Its IUPAC name is (1S)-2,2-dibromo-1-methyl-N-(thiophen-2-ylmethyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name(1S)-2,2-dibromo-1-methyl-N-(thiophen-2-ylmethyl)cyclopropane-1-carboxamide
PubChem CID2166491
Molecular FormulaC10H11Br2NOS
Molecular Weight353.08 g/mol
Exact Mass350.89
IUPAC Name(1S)-2,2-dibromo-1-methyl-N-(thiophen-2-ylmethyl)cyclopropane-1-carboxamide
SMILESC[C@@]1(C(=O)NCc2cccs2)CC1(Br)Br
InChIInChI=1S/C10H11Br2NOS/c1-9(6-10(9,11)12)8(14)13-5-7-3-2-4-15-7/h2-4H,5-6H2,1H3,(H,13,14)/t9-/m0/s1
InChIKeyZJYJKOXRJZLZFA-VIFPVBQESA-N
XLogP3.26
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.08
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1S)-2,2-dibromo-1-methyl-N-(thiophen-2-ylmethyl)cyclopropane-1-carboxamide?
The IUPAC name of (1S)-2,2-dibromo-1-methyl-N-(thiophen-2-ylmethyl)cyclopropane-1-carboxamide (CID 2166491) is (1S)-2,2-dibromo-1-methyl-N-(thiophen-2-ylmethyl)cyclopropane-1-carboxamide.
What is the SMILES notation for (1S)-2,2-dibromo-1-methyl-N-(thiophen-2-ylmethyl)cyclopropane-1-carboxamide?
The canonical SMILES for (1S)-2,2-dibromo-1-methyl-N-(thiophen-2-ylmethyl)cyclopropane-1-carboxamide is C[C@@]1(C(=O)NCc2cccs2)CC1(Br)Br.
What is the InChIKey of (1S)-2,2-dibromo-1-methyl-N-(thiophen-2-ylmethyl)cyclopropane-1-carboxamide?
The InChIKey is ZJYJKOXRJZLZFA-VIFPVBQESA-N. The full InChI is InChI=1S/C10H11Br2NOS/c1-9(6-10(9,11)12)8(14)13-5-7-3-2-4-15-7/h2-4H,5-6H2,1H3,(H,13,14)/t9-/m0/s1.
What are the key properties of (1S)-2,2-dibromo-1-methyl-N-(thiophen-2-ylmethyl)cyclopropane-1-carboxamide?
(1S)-2,2-dibromo-1-methyl-N-(thiophen-2-ylmethyl)cyclopropane-1-carboxamide has a molecular weight of 353.08 g/mol, XLogP of 3.26, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2,2-dibromo-1-methyl-N-(thiophen-2-ylmethyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 2166491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).