N-(2-bromoethyl)-N-cyclopropylthiolane-3-carboxamide

C10H16BrNOS — CID 80677843

IUPACN-(2-bromoethyl)-N-cyclopropylthiolane-3-carboxamide
SMILESO=C(C1CCSC1)N(CCBr)C1CC1
InChIInChI=1S/C10H16BrNOS/c11-4-5-12(9-1-2-9)10(13)8-3-6-14-7-8/h8-9H,1-7H2
InChIKeyAWLHTERXSWFHMR-UHFFFAOYSA-N
MW278.22 g/mol
LogP2.13
Rot. Bonds4

About N-(2-bromoethyl)-N-cyclopropylthiolane-3-carboxamide

N-(2-bromoethyl)-N-cyclopropylthiolane-3-carboxamide (PubChem CID 80677843) has the molecular formula C10H16BrNOS and a molecular weight of 278.22 g/mol. Its IUPAC name is N-(2-bromoethyl)-N-cyclopropylthiolane-3-carboxamide.

Molecular Properties

Compound NameN-(2-bromoethyl)-N-cyclopropylthiolane-3-carboxamide
PubChem CID80677843
Molecular FormulaC10H16BrNOS
Molecular Weight278.22 g/mol
Exact Mass277.01
IUPAC NameN-(2-bromoethyl)-N-cyclopropylthiolane-3-carboxamide
SMILESO=C(C1CCSC1)N(CCBr)C1CC1
InChIInChI=1S/C10H16BrNOS/c11-4-5-12(9-1-2-9)10(13)8-3-6-14-7-8/h8-9H,1-7H2
InChIKeyAWLHTERXSWFHMR-UHFFFAOYSA-N
XLogP2.13
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.22
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[tert-butyl(thiolane-3-carbonyl)amino]acetic acid
CID 79266759
N-(3-aminopropyl)-N-methylthiolane-3-carboxamide
CID 115318952
3-[cyclopropyl(thiane-4-carbonyl)amino]-2-methylpropanoic acid
CID 120535285
N-(2-bromoethyl)-N-cyclopropylpropanamide
CID 80665634
N-(2-bromoethyl)-N-cyclopropyloxolane-2-carboxamide
CID 80678303
N-(2-bromoethyl)-N-cyclopropyl-2-methylpropanamide
CID 80665638
N-(2-chloroethyl)-N-(2,2-difluoroethyl)thiolane-3-carboxamide
CID 107491118
3-[2-methoxyethyl(thiolan-3-yl)carbamoyl]cyclopentane-1-carboxylic acid
CID 103550350
N-(2-aminoethyl)-N-cyclopropylcyclopropanecarboxamide
CID 61350147
N-ethyl-N-(2-hydroxy-2-methylpropyl)thiolane-3-carboxamide
CID 79387282
N-(2-bromoethyl)-N-cyclobutyl-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 107127798
N-(3-amino-2,2-dimethylpropyl)-N-propylthiolane-3-carboxamide
CID 79668421

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoethyl)-N-cyclopropylthiolane-3-carboxamide?
The IUPAC name of N-(2-bromoethyl)-N-cyclopropylthiolane-3-carboxamide (CID 80677843) is N-(2-bromoethyl)-N-cyclopropylthiolane-3-carboxamide.
What is the SMILES notation for N-(2-bromoethyl)-N-cyclopropylthiolane-3-carboxamide?
The canonical SMILES for N-(2-bromoethyl)-N-cyclopropylthiolane-3-carboxamide is O=C(C1CCSC1)N(CCBr)C1CC1.
What is the InChIKey of N-(2-bromoethyl)-N-cyclopropylthiolane-3-carboxamide?
The InChIKey is AWLHTERXSWFHMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16BrNOS/c11-4-5-12(9-1-2-9)10(13)8-3-6-14-7-8/h8-9H,1-7H2.
What are the key properties of N-(2-bromoethyl)-N-cyclopropylthiolane-3-carboxamide?
N-(2-bromoethyl)-N-cyclopropylthiolane-3-carboxamide has a molecular weight of 278.22 g/mol, XLogP of 2.13, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoethyl)-N-cyclopropylthiolane-3-carboxamide is sourced from PubChem (CID 80677843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).