N-(2-bromoprop-2-enyl)-2-methylthiolane-2-carboxamide

C9H14BrNOS — CID 115701886

IUPACN-(2-bromoprop-2-enyl)-2-methylthiolane-2-carboxamide
SMILESC=C(Br)CNC(=O)C1(C)CCCS1
InChIInChI=1S/C9H14BrNOS/c1-7(10)6-11-8(12)9(2)4-3-5-13-9/h1,3-6H2,2H3,(H,11,12)
InChIKeyZSZKEDUYDAMOAA-UHFFFAOYSA-N
MW264.19 g/mol
LogP2.30
Rot. Bonds3

About N-(2-bromoprop-2-enyl)-2-methylthiolane-2-carboxamide

N-(2-bromoprop-2-enyl)-2-methylthiolane-2-carboxamide (PubChem CID 115701886) has the molecular formula C9H14BrNOS and a molecular weight of 264.19 g/mol. Its IUPAC name is N-(2-bromoprop-2-enyl)-2-methylthiolane-2-carboxamide.

Molecular Properties

Compound NameN-(2-bromoprop-2-enyl)-2-methylthiolane-2-carboxamide
PubChem CID115701886
Molecular FormulaC9H14BrNOS
Molecular Weight264.19 g/mol
Exact Mass263.00
IUPAC NameN-(2-bromoprop-2-enyl)-2-methylthiolane-2-carboxamide
SMILESC=C(Br)CNC(=O)C1(C)CCCS1
InChIInChI=1S/C9H14BrNOS/c1-7(10)6-11-8(12)9(2)4-3-5-13-9/h1,3-6H2,2H3,(H,11,12)
InChIKeyZSZKEDUYDAMOAA-UHFFFAOYSA-N
XLogP2.30
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.19
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-bromoprop-2-enyl)-1-methylcyclopentane-1-carboxamide
CID 115612271
N-(2-bromoprop-2-enyl)-1-methylcyclobutane-1-carboxamide
CID 130634322
N-(2-aminoethyl)-2-methylthiolane-2-carboxamide
CID 81450452
N-(2-bromoprop-2-enyl)-2-methyloxolane-2-carboxamide
CID 115686684
N-[2-(ethylamino)ethyl]-2-methylthiolane-2-carboxamide
CID 81452022
N-(5-hydroxypentyl)-2-methylthiolane-2-carboxamide
CID 107318890
2-hydroxy-3-[(2-methylthiolane-2-carbonyl)amino]propanoic acid
CID 81451719
N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-2-methylthiolane-2-carboxamide
CID 114751515
N-(3-chlorobutyl)-2-methylthiolane-2-carboxamide
CID 114301927
N-(2-aminobutyl)-2-methylthiolane-2-carboxamide
CID 81450732
N-(3,3-difluoro-2-hydroxypropyl)-2-methylthiolane-2-carboxamide
CID 103774505
N-(3-cyanopropyl)-2-methylthiolane-2-carboxamide
CID 81451532

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoprop-2-enyl)-2-methylthiolane-2-carboxamide?
The IUPAC name of N-(2-bromoprop-2-enyl)-2-methylthiolane-2-carboxamide (CID 115701886) is N-(2-bromoprop-2-enyl)-2-methylthiolane-2-carboxamide.
What is the SMILES notation for N-(2-bromoprop-2-enyl)-2-methylthiolane-2-carboxamide?
The canonical SMILES for N-(2-bromoprop-2-enyl)-2-methylthiolane-2-carboxamide is C=C(Br)CNC(=O)C1(C)CCCS1.
What is the InChIKey of N-(2-bromoprop-2-enyl)-2-methylthiolane-2-carboxamide?
The InChIKey is ZSZKEDUYDAMOAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14BrNOS/c1-7(10)6-11-8(12)9(2)4-3-5-13-9/h1,3-6H2,2H3,(H,11,12).
What are the key properties of N-(2-bromoprop-2-enyl)-2-methylthiolane-2-carboxamide?
N-(2-bromoprop-2-enyl)-2-methylthiolane-2-carboxamide has a molecular weight of 264.19 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoprop-2-enyl)-2-methylthiolane-2-carboxamide is sourced from PubChem (CID 115701886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).